Daniel G A Smith

researcher

Daniel G A Smith is …
instance of (P31):
humanQ5

External links are
P227GND ID1233015095
P496ORCID iD0000-0001-8626-0900
P214VIAF ID8452162062773051650001

P735given nameDanielQ14516546
DanielQ14516546
P106occupationresearcherQ1650915
P21sex or gendermaleQ6581097

Reverse relations

author (P50)
Q113314837Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field
Q96948466Driving torsion scans with wavefront propagation
Q91515100Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
Q91704059PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Q93154197Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Q94945792Psi4 1.4: Open-source software for high-throughput quantum chemistry
Q53818688Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.
Q90126305Sharing Data from Molecular Simulations
Q92346114Stochastic resolution of identity second-order Matsubara Green's function theory
Q47448946The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.
Q97561540The CECAM electronic structure library and the modular software development paradigm
Q113227963opt\_einsum - A Python package for optimizing contraction order for einsum-like expressions

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