Company lists · Data refreshed October 2026
Top 25 Computational materials science software worldwide
RevenueBase identified 160 company matches for computational materials science software worldwide as of October 2026 and tracks 1,469 professional contacts across them, including 252 with verified work emails. The United States is the largest market and Bochum the largest hub.
This list covers company matches for computational materials science software worldwide, found by RevenueBase SmartSearch using the meaning of business descriptions in its company graph at Exact. Ranked by professionals tracked, largest first. Rows show recorded descriptions where available, Exact search membership and the snapshot date. Data refreshed October 1, 2026. Country and city lists for computational materials science software follow the table.
Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase SmartSearch, the natural-language company search RevenueBase customers use to build their own targeted lists and unlock verified emails and direct dials at the companies on them. How these lists are built and judged.
The 25 largest computational materials science software worldwide
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 521 contacts → | ||||
Exact match “COMSOL develops mathematical modeling software for driving new breakthroughs in physics and engineering.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 2 | 57 contacts → | ||||
Exact match “For more than 30 years, Thermo-Calc Software has been at the forefront of developing software and databases used to predict and understand materials properties.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 3 | 49 contacts → | ||||
Exact match “Math2Market develops and markets GeoDict, a comprehensive software platform for digital material development.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 4 | 35 contacts → | ||||
Exact match Recorded description not available. Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 5 | 27 contacts → | ||||
Exact match “SCM scientists are passionate to make computational chemistry work for you.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 6 | 23 contacts → | ||||
Exact match “FACCTs is a spin-off of the Max Planck Society.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 7 | 21 contacts → | ||||
Exact match “Paanduv Applications provides low cost, sustainable, and state-of-art physics-based computational software development services, consulting services and hands-on educational…” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 8 | 20 contacts → | ||||
Exact match “Nanoacademic Technologies develops and commercialize licenses of advanced atomistic simulation tools to predict the properties of next generation materials and electronic devices.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 9 | 18 contacts → | ||||
Exact match “The QuantumATK team at Synopsys develops the QuantumATK simulation tool for fast and reliable atomic-scale modeling of nanostructure.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 10 | 17 contacts → | ||||
Exact match “Our mission is to provide tools that help metallurgists, materials scientists, and process engineers navigate the complexity of chemical space using thermochemistry as a map.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 11 | 15 contacts → | ||||
Exact match “Tech-X Corporation specializes in high-performance computational software.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 12 | 14 contacts → | ||||
Exact match “We build the prediction engine that discovers real, manufacturable materials.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 13 | 14 contacts → | ||||
Exact match “Compular enables materials developers and researchers to make faster progress in the development of new chemicals, materials and formulations by physics simulations.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 14 | 14 contacts → | ||||
Exact match “Unleashing the Power of Computation Across Scientific Frontiers Founded in 2016 by a visionary team of scientists, Zastra Innovations stands at the forefront of scientific…” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 15 | 12 contacts → | ||||
Exact match “Setting up complex MD simulation systems with ease” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 16 | 12 contacts → | ||||
Exact match “Molecular Quantum Solutions (MQS) provides computational tools to accelerate research & development efforts by the pharma, biotech and chemical industry.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 17 | 11 contacts → | ||||
Exact match “e-Xstream engineering, part of Hexagon Manufacturing Intelligence Division, offers the industry the most complete and integrated solution portfolio to leverage the full potential…” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 18 | 11 contacts → | ||||
Exact match “At Monte Caldera Technologies, we develop cutting-edge tools to predict the physical properties of macromolecular suspensions.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 19 | 9 contacts → | ||||
Exact match “We’ve created the gold standard software to predictively model molecular interactions.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 20 | 9 contacts → | ||||
Exact match “Scube Scientific Software Solutions (P) Ltd is dedicating itself to serving the scientific community by providing powerful, easy-to-use, and affordable scientific software.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 21 | 9 contacts → | ||||
Exact match “We’re developing next-generation computational tools to accelerate chemical research and drug discovery.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 22 | 7 contacts → | ||||
Exact match “nextnano is a leading provider of advanced simulation software for the nanoelectronics industry.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 23 | 7 contacts → | ||||
Exact match “Mat3ra.com (formerly Exabyte.io) is a technology startup company based in San Francisco, California developing a novel way to design and discover advanced materials through…” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 24 | 6 contacts → | ||||
Exact match “CompuTherm LLC, founded in 1996 as a spin-off from the University of Wisconsin–Madison, is a leading provider of CALPHAD-based modeling tools for ICME.” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
| 25 | 6 contacts → | ||||
Exact match “SIMUNE Atomistics is a scientific software manufacturing company that brings flexible solutions for materials modelling oriented to chemical, automotive, electronics and…” Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase | |||||
RevenueBase SmartSearch
Describe a niche business in your own words. RevenueBase SmartSearch compares the meaning of your description with company business descriptions compiled in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit.
This list uses Exact for “computational materials science software”. Each Exact match badge shows membership in that saved search; it is not an individual similarity score or a service-quality rating. Recorded descriptions are shown where available.
Showing 25 of 160 computational materials science software worldwide
See the full list, filter by size, metro and specialty, and access 252 tracked professional contacts with verified work emails. Direct dials are available where recorded.
Free signup · no credit card
Computational materials science software worldwide at a glance
As of Oct 1, 2026Companies by employee count
Email recency is reported on each country list linked below.
How this list was built
The recorded descriptions help you assess these company matches. Check a company’s website for its current services and locations.
- Source
- The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase SmartSearch, the natural-language company search available to every RevenueBase user.
- Coverage
- Every country. Country and city lists for computational materials science software are linked below.
- What qualifies
- Company records worldwide whose business descriptions match “computational materials science software” by meaning at the Exact setting. Descriptions are compiled in the RevenueBase company graph from public websites, profiles and company information where available; they are not guaranteed quotations from the company's website.
- RevenueBase SmartSearch
- Describe a niche company in your own words to find businesses by meaning. Exact, Similar, Related and Broad control the breadth of RevenueBase SmartSearch. This saved list uses Exact. Each row's Exact match badge shows inclusion in that search, not an individual score or a service-quality judgment.
- Public preview
- The public preview omits records without a verified work email. Dataset totals and geographic summaries describe the full matched records before these preview filters.
- Match quality
- RevenueBase's August 25, 2026 study assessed 4,198 description/company pairs across matching settings. The publisher reports 86% good or better at Exact. This evaluates the method across queries; it does not audit this individual list. Recorded company descriptions, where available, help you judge each match yourself. Read the full methodology: how the lists are built and what the study measures.
- Ranking
- Team size, largest first: companies are ordered by the number of professionals RevenueBase tracks at each one. Employee ranges shown are reported bands, for context.
- Verification
- Every displayed company carries at least one verified work email. RevenueBase tracks 252 professional contacts with verified work emails across the full matched dataset. Contacts re-verify on a rolling cadence, and each contact's own verification date is shown inside RevenueBase.
- Refresh
- This page's figures were pulled from the company graph on October 1, 2026. Lists refresh periodically as the graph is re-checked.
- Record context
- Company records and descriptions can change. Check the company's website for its current services and locations.
Computational materials science software by location
1 lists · largest firstEvery Computational materials science software list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
Frequently asked
What is RevenueBase SmartSearch?
RevenueBase SmartSearch finds niche companies by the meaning of their business descriptions in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit your description. This list uses Exact for “computational materials science software”; each Exact match badge shows search membership, not an individual similarity or quality score.
How many computational materials science software are there worldwide?
RevenueBase identified 160 company matches for computational materials science software worldwide as of October 2026, using the meaning of business descriptions at Exact. This is the recorded matched set in the RevenueBase company graph.
What is the largest company on this list?
Comsol, INC tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.
Which country has the most computational materials science software?
The United States leads with 46 companies. Every computational materials science software list by country and city is linked on this page.
Which city has the most computational materials science software?
Bochum leads with 3 company records, followed by Cambridge (3) and Copenhagen (3).
How do I get contact information for these companies?
A free RevenueBase account lets you run this exact search and work limited free results with 500 credits to start. Upgrading provides access to the 252 professional contacts with verified work emails tracked across these 160 companies; direct dials are available where recorded.
How current is this list?
The list refreshes periodically as the company graph is re-checked. This page's figures were pulled on October 1, 2026.
Ready to reach these companies? Verified emails and direct dials for all 160 computational materials science software worldwide. Start with a free account, no credit card.
Download this list →Related lists
Browse the directory
About this data
RevenueBase is a B2B data infrastructure company. Its company graph covers 60 million companies and 398.9 million professional contacts, with emails verified on a rolling cadence rather than scraped once and left to decay. These company lists are generated directly from that graph with RevenueBase SmartSearch, the same natural-language company search every RevenueBase user has: describe a market in plain words, get the companies that match, and add verified emails and direct dials for the people at them. It is the same data that powers RevenueBase's B2B data products, and a free account includes 500 credits to start. How these lists are built and judged.
More company lists
Company intelligence · public preview
Top 25 computational materials science software worldwide
Find companies in any niche.
Describe the businesses you want in your own words. RevenueBase SmartSearch matches company descriptions by meaning.
RevenueBase records 160 matching company records for computational materials science software worldwide, with 1,469 tracked contacts and 252 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: October 1, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 computational materials science software worldwide
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 |  Comsol, INCcomsol.comHQ: Burlington, MA, United StatesReported employees: 501-1,000 | Burlington, MA, United States | 501-1,000 | Exact match | 521 contacts → |
“COMSOL develops mathematical modeling software for driving new breakthroughs in physics and engineering.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 |  Thermo-Calc Softwarethermocalc.comHQ: Solna, SwedenReported employees: 11-50 | Solna, Sweden | 11-50 | Exact match | 57 contacts → |
“For more than 30 years, Thermo-Calc Software has been at the forefront of developing software and databases used to predict and understand materials properties.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 |  Math2market Gmbhmath2market.comHQ: Kaiserslautern, GermanyReported employees: 51-200 | Kaiserslautern, Germany | 51-200 | Exact match | 49 contacts → |
“Math2Market develops and markets GeoDict, a comprehensive software platform for digital material development.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 |  Materials Design, INCmaterialsdesign.comHQ: San Diego, CA, United StatesReported employees: 11-50 | San Diego, CA, United States | 11-50 | Exact match | 35 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 5 | HQ: Amsterdam, NetherlandsReported employees: 11-50 | Amsterdam, Netherlands | 11-50 | Exact match | 27 contacts → |
“SCM scientists are passionate to make computational chemistry work for you.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 |  Facctsfaccts.deHQ: Cologne, GermanyReported employees: 11-50 | Cologne, Germany | 11-50 | Exact match | 23 contacts → |
“FACCTs is a spin-off of the Max Planck Society.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 | Paanduv Applicationspaanduvapplications.com HQ: Bareilly, IndiaReported employees: 1-10 | Bareilly, India | 1-10 | Exact match | 21 contacts → |
“Paanduv Applications provides low cost, sustainable, and state-of-art physics-based computational software development services, consulting services and hands-on educational…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 |  Nanoacademic Technologies INCnanoacademic.comHQ: Montreal, QC, CanadaReported employees: 11-50 | Montreal, QC, Canada | 11-50 | Exact match | 20 contacts → |
“Nanoacademic Technologies develops and commercialize licenses of advanced atomistic simulation tools to predict the properties of next generation materials and electronic devices.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 |  Synopsys Quantumatksynopsys.comHQ: Copenhagen, DenmarkReported employees: 11-50 | Copenhagen, Denmark | 11-50 | Exact match | 18 contacts → |
“The QuantumATK team at Synopsys develops the QuantumATK simulation tool for fast and reliable atomic-scale modeling of nanostructure.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 |  Gtt-Technologiesgtt-technologies.deHQ: Kohlscheid, GermanyReported employees: 11-50 | Kohlscheid, Germany | 11-50 | Exact match | 17 contacts → |
“Our mission is to provide tools that help metallurgists, materials scientists, and process engineers navigate the complexity of chemical space using thermochemistry as a map.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 |  Tech-X Corporationtxcorp.comHQ: Boulder, CO, United StatesReported employees: 11-50 | Boulder, CO, United States | 11-50 | Exact match | 15 contacts → |
“Tech-X Corporation specializes in high-performance computational software.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 | Phasetreephasetree.ai HQ: Søborg, DenmarkReported employees: 11-50 | Søborg, Denmark | 11-50 | Exact match | 14 contacts → |
“We build the prediction engine that discovers real, manufacturable materials.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 | Compularcompulartech.com HQ: Gothenburg, SwedenReported employees: 1-10 | Gothenburg, Sweden | 1-10 | Exact match | 14 contacts → |
“Compular enables materials developers and researchers to make faster progress in the development of new chemicals, materials and formulations by physics simulations.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 |  Zastra Innovationszastrain.comHQ: Bengaluru North, IndiaReported employees: 11-50 | Bengaluru North, India | 11-50 | Exact match | 14 contacts → |
“Unleashing the Power of Computation Across Scientific Frontiers Founded in 2016 by a visionary team of scientists, Zastra Innovations stands at the forefront of scientific…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 | Molcubemolcube.com HQ: Seoul, South KoreaReported employees: 11-50 | Seoul, South Korea | 11-50 | Exact match | 12 contacts → |
“Setting up complex MD simulation systems with ease” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 | HQ: Copenhagen, DenmarkReported employees: 1-10 | Copenhagen, Denmark | 1-10 | Exact match | 12 contacts → |
“Molecular Quantum Solutions (MQS) provides computational tools to accelerate research & development efforts by the pharma, biotech and chemical industry.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 |  Hexagon Digital Materialshexagon.comHQ: LuxembourgReported employees: Not recorded | Luxembourg | Not recorded | Exact match | 11 contacts → |
“e-Xstream engineering, part of Hexagon Manufacturing Intelligence Division, offers the industry the most complete and integrated solution portfolio to leverage the full potential…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 |  Monte Caldera Technologies INCmontecaldera.comHQ: Tulsa, OK, United StatesReported employees: 11-50 | Tulsa, OK, United States | 11-50 | Exact match | 11 contacts → |
“At Monte Caldera Technologies, we develop cutting-edge tools to predict the physical properties of macromolecular suspensions.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 |  Freecurve Labsfreecurve.aiHQ: Berkeley, CA, United StatesReported employees: 11-50 | Berkeley, CA, United States | 11-50 | Exact match | 9 contacts → |
“We’ve created the gold standard software to predictively model molecular interactions.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 |  Scube Scientific Software Solutions P LTDscubeindia.comHQ: New Delhi, IndiaReported employees: 1-10 | New Delhi, India | 1-10 | Exact match | 9 contacts → |
“Scube Scientific Software Solutions (P) Ltd is dedicating itself to serving the scientific community by providing powerful, easy-to-use, and affordable scientific software.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 | ROWANrowansci.com HQ: United StatesReported employees: 1-10 | United States | 1-10 | Exact match | 9 contacts → |
“We’re developing next-generation computational tools to accelerate chemical research and drug discovery.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 |  Nextnano Gmbhnextnano.comHQ: Munich, GermanyReported employees: 11-50 | Munich, Germany | 11-50 | Exact match | 7 contacts → |
“nextnano is a leading provider of advanced simulation software for the nanoelectronics industry.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 |  mat3ra.commat3ra.comHQ: Walnut Creek, CA, United StatesReported employees: 11-50 | Walnut Creek, CA, United States | 11-50 | Exact match | 7 contacts → |
“Mat3ra.com (formerly Exabyte.io) is a technology startup company based in San Francisco, California developing a novel way to design and discover advanced materials through…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 |  Computherm LLCcomputherm.comHQ: Middleton, WI, United StatesReported employees: 1-10 | Middleton, WI, United States | 1-10 | Exact match | 6 contacts → |
“CompuTherm LLC, founded in 1996 as a spin-off from the University of Wisconsin–Madison, is a leading provider of CALPHAD-based modeling tools for ICME.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 | Simune Atomisticssimuneatomistics.com HQ: Donostia - San Sebastián, SpainReported employees: 1-10 | Donostia - San Sebastián, Spain | 1-10 | Exact match | 6 contacts → |
“SIMUNE Atomistics is a scientific software manufacturing company that brings flexible solutions for materials modelling oriented to chemical, automotive, electronics and…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 160 company matches
Build a targeted audience, find relevant contacts and export available records to your workflow.
Free signup · 500 credits · limited free results
Computational materials science software: dataset insights
October 1, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
160 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured across the whole country list rather than for Worldwide, so it is reported there. Company counts and contact totals on this page are exact for Worldwide, over 160 companies.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: October 1, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Computational materials science software by location
1 lists · largest firstEvery Computational materials science software list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
Questions about this company list
What does Exact match mean for computational materials science software?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many computational materials science software did RevenueBase find worldwide?
The saved snapshot records 160 matching company records, 1,469 tracked contacts and 252 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: October 1, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Browse the directory
Cite this list
RevenueBase Data Team. Top 25 computational materials science software worldwide. Snapshot: October 1, 2026. https://revenuebase.ai/companies/browse/computational-materials-science-software.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
More company lists
Company intelligence · public preview
Top 25 computational materials science software worldwide
RevenueBase records 160 matching company records for computational materials science software worldwide, with 1,469 tracked contacts and 252 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: October 1, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 computational materials science software worldwide
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 | Comsol, INCcomsol.com HQ: Burlington, MA, United StatesReported employees: 501-1,000 | Burlington, MA, United States | 501-1,000 | Exact match | 521 contacts → |
“COMSOL develops mathematical modeling software for driving new breakthroughs in physics and engineering.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 | Thermo-Calc Softwarethermocalc.com HQ: Solna, SwedenReported employees: 11-50 | Solna, Sweden | 11-50 | Exact match | 57 contacts → |
“For more than 30 years, Thermo-Calc Software has been at the forefront of developing software and databases used to predict and understand materials properties.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 | Math2market Gmbhmath2market.com HQ: Kaiserslautern, GermanyReported employees: 51-200 | Kaiserslautern, Germany | 51-200 | Exact match | 49 contacts → |
“Math2Market develops and markets GeoDict, a comprehensive software platform for digital material development.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 | Materials Design, INCmaterialsdesign.com HQ: San Diego, CA, United StatesReported employees: 11-50 | San Diego, CA, United States | 11-50 | Exact match | 35 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 5 | HQ: Amsterdam, NetherlandsReported employees: 11-50 | Amsterdam, Netherlands | 11-50 | Exact match | 27 contacts → |
“SCM scientists are passionate to make computational chemistry work for you.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 | Facctsfaccts.de HQ: Cologne, GermanyReported employees: 11-50 | Cologne, Germany | 11-50 | Exact match | 23 contacts → |
“FACCTs is a spin-off of the Max Planck Society.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 | Paanduv Applicationspaanduvapplications.com HQ: Bareilly, IndiaReported employees: 1-10 | Bareilly, India | 1-10 | Exact match | 21 contacts → |
“Paanduv Applications provides low cost, sustainable, and state-of-art physics-based computational software development services, consulting services and hands-on educational…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 | Nanoacademic Technologies INCnanoacademic.com HQ: Montreal, QC, CanadaReported employees: 11-50 | Montreal, QC, Canada | 11-50 | Exact match | 20 contacts → |
“Nanoacademic Technologies develops and commercialize licenses of advanced atomistic simulation tools to predict the properties of next generation materials and electronic devices.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 | Synopsys Quantumatksynopsys.com HQ: Copenhagen, DenmarkReported employees: 11-50 | Copenhagen, Denmark | 11-50 | Exact match | 18 contacts → |
“The QuantumATK team at Synopsys develops the QuantumATK simulation tool for fast and reliable atomic-scale modeling of nanostructure.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 | Gtt-Technologiesgtt-technologies.de HQ: Kohlscheid, GermanyReported employees: 11-50 | Kohlscheid, Germany | 11-50 | Exact match | 17 contacts → |
“Our mission is to provide tools that help metallurgists, materials scientists, and process engineers navigate the complexity of chemical space using thermochemistry as a map.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 | Tech-X Corporationtxcorp.com HQ: Boulder, CO, United StatesReported employees: 11-50 | Boulder, CO, United States | 11-50 | Exact match | 15 contacts → |
“Tech-X Corporation specializes in high-performance computational software.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 | Phasetreephasetree.ai HQ: Søborg, DenmarkReported employees: 11-50 | Søborg, Denmark | 11-50 | Exact match | 14 contacts → |
“We build the prediction engine that discovers real, manufacturable materials.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 | Compularcompulartech.com HQ: Gothenburg, SwedenReported employees: 1-10 | Gothenburg, Sweden | 1-10 | Exact match | 14 contacts → |
“Compular enables materials developers and researchers to make faster progress in the development of new chemicals, materials and formulations by physics simulations.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 | Zastra Innovationszastrain.com HQ: Bengaluru North, IndiaReported employees: 11-50 | Bengaluru North, India | 11-50 | Exact match | 14 contacts → |
“Unleashing the Power of Computation Across Scientific Frontiers Founded in 2016 by a visionary team of scientists, Zastra Innovations stands at the forefront of scientific…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 | Molcubemolcube.com HQ: Seoul, South KoreaReported employees: 11-50 | Seoul, South Korea | 11-50 | Exact match | 12 contacts → |
“Setting up complex MD simulation systems with ease” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 | HQ: Copenhagen, DenmarkReported employees: 1-10 | Copenhagen, Denmark | 1-10 | Exact match | 12 contacts → |
“Molecular Quantum Solutions (MQS) provides computational tools to accelerate research & development efforts by the pharma, biotech and chemical industry.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 | Hexagon Digital Materialshexagon.com HQ: LuxembourgReported employees: Not recorded | Luxembourg | Not recorded | Exact match | 11 contacts → |
“e-Xstream engineering, part of Hexagon Manufacturing Intelligence Division, offers the industry the most complete and integrated solution portfolio to leverage the full potential…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 | Monte Caldera Technologies INCmontecaldera.com HQ: Tulsa, OK, United StatesReported employees: 11-50 | Tulsa, OK, United States | 11-50 | Exact match | 11 contacts → |
“At Monte Caldera Technologies, we develop cutting-edge tools to predict the physical properties of macromolecular suspensions.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 | Freecurve Labsfreecurve.ai HQ: Berkeley, CA, United StatesReported employees: 11-50 | Berkeley, CA, United States | 11-50 | Exact match | 9 contacts → |
“We’ve created the gold standard software to predictively model molecular interactions.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 | Scube Scientific Software Solutions P LTDscubeindia.com HQ: New Delhi, IndiaReported employees: 1-10 | New Delhi, India | 1-10 | Exact match | 9 contacts → |
“Scube Scientific Software Solutions (P) Ltd is dedicating itself to serving the scientific community by providing powerful, easy-to-use, and affordable scientific software.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 | ROWANrowansci.com HQ: United StatesReported employees: 1-10 | United States | 1-10 | Exact match | 9 contacts → |
“We’re developing next-generation computational tools to accelerate chemical research and drug discovery.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 | Nextnano Gmbhnextnano.com HQ: Munich, GermanyReported employees: 11-50 | Munich, Germany | 11-50 | Exact match | 7 contacts → |
“nextnano is a leading provider of advanced simulation software for the nanoelectronics industry.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 | mat3ra.commat3ra.com HQ: Walnut Creek, CA, United StatesReported employees: 11-50 | Walnut Creek, CA, United States | 11-50 | Exact match | 7 contacts → |
“Mat3ra.com (formerly Exabyte.io) is a technology startup company based in San Francisco, California developing a novel way to design and discover advanced materials through…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 | Computherm LLCcomputherm.com HQ: Middleton, WI, United StatesReported employees: 1-10 | Middleton, WI, United States | 1-10 | Exact match | 6 contacts → |
“CompuTherm LLC, founded in 1996 as a spin-off from the University of Wisconsin–Madison, is a leading provider of CALPHAD-based modeling tools for ICME.” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 | Simune Atomisticssimuneatomistics.com HQ: Donostia - San Sebastián, SpainReported employees: 1-10 | Donostia - San Sebastián, Spain | 1-10 | Exact match | 6 contacts → |
“SIMUNE Atomistics is a scientific software manufacturing company that brings flexible solutions for materials modelling oriented to chemical, automotive, electronics and…” Recorded description excerpt · October 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 160 company matches
Build a targeted audience, find relevant contacts and export available records to your workflow.
Free signup · 500 credits · limited free results
Computational materials science software: dataset insights
October 1, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
160 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured across the whole country list rather than for Worldwide, so it is reported there. Company counts and contact totals on this page are exact for Worldwide, over 160 companies.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: October 1, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Computational materials science software by location
1 lists · largest firstEvery Computational materials science software list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
Questions about this company list
What does Exact match mean for computational materials science software?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many computational materials science software did RevenueBase find worldwide?
The saved snapshot records 160 matching company records, 1,469 tracked contacts and 252 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: October 1, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Browse the directory
Cite this list
RevenueBase Data Team. Top 25 computational materials science software worldwide. Snapshot: October 1, 2026. https://revenuebase.ai/companies/browse/computational-materials-science-software.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗