Yuanheng Wang

5PUBLICATIONS
113CO-AUTHORS
Formal methods for softwareTheoretical quantum chemistryProcedural content generation
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Publications (5)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|May 28, 2026
Bridging quantum mechanics to liquid properties via a universal organic force field.

|Nov 06, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications.

Yuanheng Wang, Diptarka Hait, K Grace Johnson

|Jun 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

Diptarka Hait, Dean Lahana, O Jonathan Fajen

|Feb 01, 2023
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model.

Vinícius Wilian D Cruzeiro, Yuanheng Wang, Elisa Pieri

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Frequent Collaborators

3 joint publications

Todd J Martínez

2 joint publications

Diptarka Hait

2 joint publications

O Jonathan Fajen

1 joint publications

Vinícius Wilian D Cruzeiro