Daniel G. A. Smith - Concepedia

Author

Daniel G. A. Smith

Molecular Sciences Software Institute ORCID

Also Known As

Daniel G A Smith, Daniel G. A. Smith, Daniel G.A. Smith, Daniel GA Smith, Daniel Smith, Daniël Smith, Smith, Daniel G. A., Smith, Daniel G.A., Smith, Daniel GA

Publications

4.6K

Citations

H-Index

Concepts

All Affiliations

Molecular Sciences Software Institute Georgia Institute of Technology Auburn University Virginia Tech University of Georgia

About

Daniel G. A. Smith is an author at Molecular Sciences Software Institute specializing in computational chemistry, natural sciences, and engineering.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	19	22	2.7K
2	Natural Sciences	19	22	2.7K
3	Applied Physics	6	6	641
4	Medicine	1	1	86
5	Biomolecular Engineering	1	1	14

Daniel G. A. Smith

Publications

4.5K

Citations

H-Index

Page 1

	Year	Citations
<scp>Psi4</scp> 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith, Journal of Chemical Theory and Computation EngineeringPhysicsElectronic Design AutomationFrozen Natural OrbitalsNatural Sciences	2017	1.2K
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett, The Journal of Chemical Physics	2020	923
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory Daniel G. A. Smith, Lori A. Burns, Konrad Patkowski, The Journal of Physical Chemistry Letters Numerical AnalysisBenchmark Interaction EnergiesEngineeringComputational ChemistryDispersion	2016	521
Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field Yudong Qiu, Daniel G. A. Smith, Simon Boothroyd, Journal of Chemical Theory and Computation EngineeringComputational ChemistryChemistryMolecular DesignSingle Molecule Biophysics	2021	163
P <scp>si</scp> 4N <scp>um</scp> P <scp>y</scp> : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni, Journal of Chemical Theory and Computation	2018	151
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions Lori A. Burns, John C. Faver, Zheng Zheng, The Journal of Chemical Physics	2017	129
opt\_einsum - A Python package for optimizing contraction order for einsum-like expressions Daniel G. A. Smith, Johnnie Gray The Journal of Open Source Software	2018	109
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science Anna I. Krylov, Theresa L. Windus, Taylor Barnes, The Journal of Chemical Physics EngineeringMolecular BiologyComputational ChemistryChemistryMolecular Graphic	2018	102
Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett, Qcschema Data FormatEngineeringComputational ChemistryChemistryQuantum Programming	2020	89
The <scp>MolSSI</scp> QCA <scp>rchive</scp> project: An open‐source platform to compute, organize, and share quantum chemistry data Daniel G. A. Smith, Doaa Altarawy, Lori A. Burns, Wiley Interdisciplinary Reviews Computational Molecular Science	2020	88

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