human | Q5 |
P227 | GND ID | 1233015095 |
P496 | ORCID iD | 0000-0001-8626-0900 |
P214 | VIAF ID | 8452162062773051650001 |
P735 | given name | Daniel | Q14516546 |
Daniel | Q14516546 | ||
P106 | occupation | researcher | Q1650915 |
P21 | sex or gender | male | Q6581097 |
Q113314837 | Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field |
Q96948466 | Driving torsion scans with wavefront propagation |
Q91515100 | Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory |
Q91704059 | PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces |
Q93154197 | Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science |
Q94945792 | Psi4 1.4: Open-source software for high-throughput quantum chemistry |
Q53818688 | Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. |
Q90126305 | Sharing Data from Molecular Simulations |
Q92346114 | Stochastic resolution of identity second-order Matsubara Green's function theory |
Q47448946 | The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions. |
Q97561540 | The CECAM electronic structure library and the modular software development paradigm |
Q113227963 | opt\_einsum - A Python package for optimizing contraction order for einsum-like expressions |
Search more.