about
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.Sharing Data from Molecular SimulationsEfficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theoryPES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy SurfacesStochastic resolution of identity second-order Matsubara Green's function theoryPerspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular sciencePsi4 1.4: Open-source software for high-throughput quantum chemistry
P50
Q47448946-2A1D4A7C-7FB7-45A6-91C0-4A84285A580FQ53818688-B5064308-871F-46C8-BC68-7996A614A750Q90126305-54D20BF8-A6BE-4855-B8D0-75A68D50A0CEQ91515100-5E9522E3-0404-4280-8A50-FBC8C919F454Q91704059-20701A21-A2D0-484C-A59E-8A459AAF1BD8Q92346114-E96D4F84-8C92-4C46-8735-2DC0D09374D8Q93154197-F3EB4893-9C46-4DDD-BEC6-245401858323Q94945792-973ABB67-A355-4864-ABD5-D1A93801F258
P50
description
researcher
@en
name
Daniel G A Smith
@en
type
label
Daniel G A Smith
@en
prefLabel
Daniel G A Smith
@en
P31
P496
0000-0001-8626-0900