Who funds computational chemistry research?

We count 51 funded computational chemistry projects, active between 2022 and 2032, from 4 funders. The most came from EU · ERC (18 projects), EU · MSCA (9 projects) and DOE (5 projects). The median award is $1.2M, across the 47 of 51 projects that list an amount.

Funded projects

51

Funders

4

Median award

$1.2M

Open calls now

0

Top funders of computational chemistry research

Projects whose title or summary mentions computational chemistry. Median award: of the projects that list an amount, in US dollars; “—” when fewer than 3 do.

Open computational chemistry funding calls

No open call mentions computational chemistry in our listings today. We add new calls twice a day; create a free account to get an alert when one opens.

Funded computational chemistry projects

A sample, latest start first, at most three per program.

• BIO-AI: TransforMD: A Multiscale Machine Learning Platform for Explainable Protein Engineering with Molecular Dynamics Simulations
  NSF · BIO · $831,958 · ends 2030
• REU Site: Novel Techniques and Applications in Catalysis Research Development and Molecular Dynamics
  NSF · MPS · $463,725 · ends 2029
• Simulating Molecular Dynamics Initiated by Strong Laser Fields
  NSF · MPS · $600,000 · ends 2029
• Collaborative Research: Two-photon DeepSpiral super-resolution imaging of in vivo molecular dynamics in deep tissue
  NSF · BIO · $360,000 · ends 2029
• Transferable Latent Space Simulators: Generative Emulators of Protein Dynamics
  NSF · MPS · $452,251 · ends 2029
• Phasecraft inc. New award control number: 3482-1532 foa number: de-foa-0003482 quantum computing for computational chemistry (qc3) project…
  DOE · $4,519,436 · ends 2029
• Elements: A Community Validation Code for Fragment-Based Quantum Chemistry
  NSF · CISE · $598,912 · ends 2029
• Linking Morphology to Physical Properties for Organic Electronics
  UKRI · UKRI FLF · £593,105 · ends 2029
• Tuning Molecular Motors: Molecular Dynamics of Novel Overcrowded Alkenes in Gas and Condensed Phase
  UKRI · EPSRC · £972,897 · ends 2029
• Molecular Simulations of Food Biotribology
  UKRI · EPSRC · ends 2028

How we count

Funded projects come from public award records (NIH RePORTER, NSF, EU CORDIS, UKRI Gateway to Research, Wellcome, the Gates Foundation, DOE, NASA and USDA NIFA) whose title or summary matches “computational chemistry or quantum chemistry or molecular dynamics”. NIH lists each budget year separately; one project counts once. Amounts are as the funder lists them; medians use only projects that list one, in US dollars. Open calls and forecasts are from our listings of October 28, 2026. A project can mention a topic without being mainly about it, so treat the counts as a guide to who funds the area.