Andrew C. Simmonett

Physics and AstronomyBiochemistry, Genetics and Molecular BiologyMaterials ScienceChemistry

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 18 papers. Top paper: “P SI4 1.4: Open-source software for high-throughput quantum chemistry”.

P SI4 1.4: Open-source software for high-throughput quantum chemistry

The Journal of Chemical Physics(2020)10.1063/5.0006002

N/A

1.0DataRank · unranked

955 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Cole Schieber, Raimondas Galvelis +30 more

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

ChemRxiv(2020)10.26434/chemrxiv.11930031.v1

N/A

0DataRank · unranked

91 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Schieber, Raimondas Galvelis +30 more

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

ChemRxiv(2020)10.26434/chemrxiv.11930031

N/A

0DataRank · unranked

32 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Schieber, Raimondas Galvelis +30 more

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434

N/A

0DataRank · unranked

10 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

ChemRxiv(2020)10.26434/chemrxiv.13140011.v2

N/A

0DataRank · unranked

4 citations

Anthony Cruz, Daniel R. Roe, Andrew C. Simmonett, Lauren Wickstrom, Nanjie Deng +2 more

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

ChemRxiv(2020)10.26434/chemrxiv.13140011.v1

N/A

0DataRank · unranked

1 citations

Anthony Cruz, Daniel R. Roe, Andrew C. Simmonett, Lauren Wickstrom, Nanjie Deng +2 more

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434.v1

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01326

N/A

0DataRank · unranked

78 citations

Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B. Klauda +3 more

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics(2021)10.1063/5.0059356

N/A

0DataRank · unranked

45 citations

Annabelle Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor Barnes +43 more

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01185

N/A

0DataRank · unranked

40 citations

Anthony Cruz, Daniel R. Roe, Andrew C. Simmonett, Lauren Wickstrom, Nanjie Deng +2 more

The Extended Eighth‐Shell method for periodic boundary conditions with rotational symmetry

Journal of Computational Chemistry(2021)10.1002/jcc.26545

N/A

0DataRank · unranked

6 citations

Andrew C. Simmonett, Rubén Meana‐Pañeda, Bernard R. Brooks, Samarjeet Prasad

Efficient and Scalable Electrostatics via Spherical Grids and Treecode Summation

ChemRxiv(2022)10.26434/chemrxiv-2022-6xzql

N/A

0DataRank · unranked

2 citations

Bernard R. Brooks, Thomas A. Darden, Andrew C. Simmonett

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

The Journal of Physical Chemistry B(2023)10.1021/acs.jpcb.3c06662

N/A

0DataRank · unranked

495 citations

Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio +20 more

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

arXiv (Cornell University)(2023)10.48550/arxiv.2310.03121

N/A

0DataRank · unranked

20 citations

Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio +20 more

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.4c04100

N/A

0DataRank · unranked

116 citations

Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck +68 more

Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HP

The Journal of Chemical Physics(2024)10.1063/5.0200722

N/A

0DataRank · unranked

2 citations

Andrew C. Simmonett, G. Andrés Cisneros, Jorge Nochebuena

Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4 and Tinker-HP

ChemRxiv(2024)10.26434/chemrxiv-2024-8k45x

N/A

0DataRank · unranked

0 citations

Andrew C. Simmonett, G. Andrés Cisneros, Jorge Nochebuena

Efficient and scalable electrostatics via spherical grids and treecode summation

The Journal of Chemical Physics(2025)10.1063/5.0264934

N/A

0DataRank · unranked

2 citations

Bernard R. Brooks, Thomas A. Darden, Andrew C. Simmonett