Company lists · Data refreshed September 2026

Top 25 Quantum chemistry software companies worldwide

RevenueBase identified 169 company matches for quantum chemistry software companies worldwide as of September 2026 and tracks 1,942 professional contacts across them, including 784 with verified work emails. The United States is the largest market and Cambridge the largest hub.

This list covers company matches for quantum chemistry software companies 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 September 29, 2026. Country and city lists for quantum chemistry software companies 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.

How to read this list RevenueBase SmartSearch · Exact Recorded Sep 29, 2026 How this list was built
169Companies
1,942Contacts tracked
784Verified emails
Explore this list → Free signup · no credit card · 500 free credits

The 25 largest quantum chemistry software companies worldwide

Ranked by team size
Top 25 of 169 company matches for quantum chemistry software companies worldwide, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 29, 2026. The RevenueBase SmartSearch column shows Exact match membership in this saved search. Click a contact count to view that company's people. Totals use company locations recorded by RevenueBase; the displayed preview is a smaller selection.
#CompanyRevenueBase SmartSearchHeadquartersEmployeesContacts
1Exact matchBudapest, HungaryHQ recorded Sep 29, 2026201-500183 contacts →

Exact match

“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
2Exact matchSanta Fe, NM, United StatesHQ recorded Sep 29, 202651-200121 contacts →

Exact match

“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
3Exact matchTel Aviv, IsraelHQ recorded Sep 29, 202651-200104 contacts →

Exact match

“Welcome to Classiq - Leading Quantum Computing Software Inspired by traditional semiconductor design automation, Classiq combines deep quantum expertise with novel implementation…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
4Exact matchCambridge, United KingdomHQ recorded Sep 29, 202651-20087 contacts →

Exact match

“Cresset® is revolutionizing molecule design and cross-team communication, combining cutting-edge science with AI/ML to enable our customers to discover new compounds faster and…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
5Exact matchSantiago De Compostela, SpainHQ recorded Sep 29, 202651-20071 contacts →

Exact match

“Mestrelab Research (Mestrelab) is a leading software development company specializing in innovative solutions for analytical chemistry.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
6Exact matchMontreal, QC, CanadaHQ recorded Sep 29, 202651-20063 contacts →

Exact match

“CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
7Exact matchCambridge, United KingdomHQ recorded Sep 29, 202651-20053 contacts →

Exact match

“Optibrium provides elegant software solutions for small molecule design, optimisation and data analysis.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
8Exact matchBunkyo, JapanHQ recorded Sep 29, 202611-5052 contacts →

Exact match

“Founded in 2018, QunaSys is the world's leading developer of innovative algorithms in chemistry, focused on accelerating the development of quantum technology applicability.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
9Exact matchMilan, ItalyHQ recorded Sep 29, 202611-5046 contacts →

Exact match

“Algorithmiq develops quantum software that makes quantum computers useful for science and industry.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
10Exact matchBarcelona, SpainHQ recorded Sep 29, 202611-5040 contacts →

Exact match

“Nostrum Biodiscovery is a spin-off from the Barcelona Supercomputing Center (BSC-CNS) and the Institute for Research in Biomedicine (IRB), two of the most recognized Spanish…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
11Exact matchPalo Alto, CA, United StatesHQ recorded Sep 29, 202611-5038 contacts →

Exact match

“QC Ware is a quantum computing software company building enterprise solutions.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
12Exact matchKarlsruhe, GermanyHQ recorded Sep 29, 202611-5037 contacts →

Exact match

“HQS Quantum Simulations develops production-ready software that turns quantum physics into practical tools for spectroscopy.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
13Exact matchLondon, United KingdomHQ recorded Sep 29, 202651-20029 contacts →

Exact match

“Cambridge Quantum (CQ), part of Quantinuum, is a quantum computing software and algorithms company, and in essence we solve one critical problem – to allow our customers to get…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
14Exact matchSankt Augustin, GermanyHQ recorded Sep 29, 202611-5028 contacts →

Exact match

“BioSolveIT visualizes drug discovery.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
15Exact matchAmsterdam, NetherlandsHQ recorded Sep 29, 202611-5027 contacts →

Exact match

“SCM scientists are passionate to make computational chemistry work for you.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
16Exact matchBengaluru, IndiaHQ recorded Sep 29, 202611-5027 contacts →

Exact match

“A good candidate enzyme must possess better half-life, utilize unnatural substrates and retain activity under extreme process conditions, for e.g.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
17Exact matchKraków, PolandHQ recorded Sep 29, 202611-5024 contacts →

Exact match

“BEIT builds the computational chemistry engine underneath the AI drug‑discovery era - quantum‑ready, not quantum‑dependent - to help move from pharma pilots to hospital‑grade…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
18Exact matchCologne, GermanyHQ recorded Sep 29, 202611-5023 contacts →

Exact match

“FACCTs is a spin-off of the Max Planck Society.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
19Exact matchBoston, MA, United StatesHQ recorded Sep 29, 202611-5022 contacts →

Exact match

“QSimulate is reshaping the Future of Computational Drug Discovery by providing revolutionary quantum-powered simulation solutions that reduce R&D timelines and increase the…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
20Exact matchYuseong, South KoreaHQ recorded Sep 29, 202611-5022 contacts →

Exact match

“A quantum application startup with a focus in quantum chemistry and quantum algorithm development.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
21Exact matchMontreal, QC, CanadaHQ recorded Sep 29, 202611-5020 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 · Sep 29, 2026 · View company records in RevenueBase
22Exact matchBarcelona, SpainHQ recorded Sep 29, 202611-5020 contacts →

Exact match

“Quantum-Mechanics and Machine Learning Drug Discovery.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
23Exact matchCopenhagen, DenmarkHQ recorded Sep 29, 202611-5018 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 · Sep 29, 2026 · View company records in RevenueBase
24Exact matchBarcelona, SpainHQ recorded Sep 29, 202611-5018 contacts →

Exact match

“Nextmol advances chemical innovation through rigorous computational chemistry.”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase
25Exact matchVancouver, BC, CanadaHQ recorded Sep 29, 20261-1017 contacts →

Exact match

“HTuO Biosciences is a deep tech company, working at the interface of chemistry, physics and computer programming, to develop an advanced molecular simulation capable of accurately…”

Recorded in the RevenueBase company graph · Sep 29, 2026 · View company records in RevenueBase

Showing 25 of 169 quantum chemistry software companies worldwide

See the full list, filter by size, metro and specialty, and access 784 tracked professional contacts with verified work emails. Direct dials are available where recorded.

Free signup · no credit card

View the full list →

Quantum chemistry software companies worldwide at a glance

As of Sep 29, 2026
40.4%Verified-email coverage
11.5Average contacts per company
1-10Median size (employees)
3.6%Largest-city concentration · Cambridge
Sep 29, 2026Page data refreshed

Companies by employee count

1-10
104
11-50
52
51-200
11
201-500
2

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 quantum chemistry software companies are linked below.
What qualifies
Company records worldwide whose business descriptions match “quantum chemistry software companies” 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 784 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 September 29, 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.

Quantum chemistry software companies by location

1 lists · largest first

Every Quantum chemistry software companies 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 “quantum chemistry software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

How many quantum chemistry software companies are there worldwide?

RevenueBase identified 169 company matches for quantum chemistry software companies worldwide as of September 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?

Chemaxon tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.

Which country has the most quantum chemistry software companies?

The United States leads with 32 companies. Every quantum chemistry software companies list by country and city is linked on this page.

Which city has the most quantum chemistry software companies?

Cambridge leads with 6 company records, followed by Montreal (4) and Barcelona (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 784 professional contacts with verified work emails tracked across these 169 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 September 29, 2026.

Ready to reach these companies? Verified emails and direct dials for all 169 quantum chemistry software companies worldwide. Start with a free account, no credit card.

Download this list →

Related lists

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.