Andrew C. Simmonett

12.3k total citations · 2 hit papers
64 papers, 4.6k citations indexed

About

Andrew C. Simmonett is a scholar working on Atomic and Molecular Physics, and Optics, Molecular Biology and Organic Chemistry. According to data from OpenAlex, Andrew C. Simmonett has authored 64 papers receiving a total of 4.6k indexed citations (citations by other indexed papers that have themselves been cited), including 51 papers in Atomic and Molecular Physics, and Optics, 14 papers in Molecular Biology and 10 papers in Organic Chemistry. Recurrent topics in Andrew C. Simmonett's work include Advanced Chemical Physics Studies (40 papers), Spectroscopy and Quantum Chemical Studies (25 papers) and Protein Structure and Dynamics (14 papers). Andrew C. Simmonett is often cited by papers focused on Advanced Chemical Physics Studies (40 papers), Spectroscopy and Quantum Chemical Studies (25 papers) and Protein Structure and Dynamics (14 papers). Andrew C. Simmonett collaborates with scholars based in United States, China and Germany. Andrew C. Simmonett's co-authors include Bernard R. Brooks, Henry F. Schaefer, Wesley D. Allen, Lee‐Ping Wang, Jason Swails, Matthew P. Harrigan, Rafal Wiewiora, Vijay S. Pande, Chaya Stern and Robert T. McGibbon and has published in prestigious journals such as Nature, Journal of the American Chemical Society and The Journal of Chemical Physics.

In The Last Decade

Andrew C. Simmonett

63 papers receiving 4.5k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

2017 1.7k citations Peter Eastman, Jason Swails et al. PLoS Computational Biology profile →
Psi4: an open‐source ab initio electronic structure program

2011 887 citations Andrew C. Simmonett, Francesco A. Evangelista et al. profile →

Peers

Countries citing papers authored by Andrew C. Simmonett

Since Specialization

Citations

This map shows the geographic impact of Andrew C. Simmonett's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Andrew C. Simmonett with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Andrew C. Simmonett more than expected).

Fields of papers citing papers by Andrew C. Simmonett

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Andrew C. Simmonett. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Andrew C. Simmonett. The network helps show where Andrew C. Simmonett may publish in the future.

Co-authorship network of co-authors of Andrew C. Simmonett

This figure shows the co-authorship network connecting the top 25 collaborators of Andrew C. Simmonett. A scholar is included among the top collaborators of Andrew C. Simmonett based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Andrew C. Simmonett. Andrew C. Simmonett is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	MBX: A many-body energy and force calculator for data-driven many-body simulations 2023 ·The Journal of Chemical Physics ·Marc Riera, Chris Knight, (unknown), (unknown), Henry Agnew, Daniel G. A. Smith, Andrew C. Simmonett, Francesco Paesani	33
2	A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations 2021 ·The Journal of Chemical Physics ·Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky, Andrew C. Simmonett, Edina Rosta, Yihan Shao	23
3	Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory 2021 ·Journal of Chemical Theory and Computation ·Lieyang Chen, Anthony Cruz, Daniel R. Roe, Andrew C. Simmonett, Lauren Wickstrom, Nanjie Deng, Tom Kurtzman	25
4	Introduction of Polarized Embedding QMMM Technique in CHARMM with PSI4 2021 ·Biophysical Journal ·Anmol Kumar, Andrew C. Simmonett, Alexander D. MacKerell	1
5	Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects 2019 ·Journal of Chemical Theory and Computation ·Andreas Krämer, Frank C. Pickard, Jing Huang, Richard M. Venable, Andrew C. Simmonett, Dirk Reith, Karl N. Kirschner, Richard W. Pastor, Bernard R. Brooks	26
6	OpenMM 7: Rapid development of high performance algorithms for molecular dynamics breakdown → 2017 ·PLoS Computational Biology ·Peter Eastman, Jason Swails, John D. Chodera, Robert T. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee‐Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya Stern, Rafal Wiewiora, Bernard R. Brooks, Vijay S. Pande	1736
7	An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches 2017 ·Journal of Chemical Theory and Computation ·Jing Huang, Ye Mei, Gerhard König, Andrew C. Simmonett, Frank C. Pickard, Qin Wu, Lee‐Ping Wang, Alexander D. MacKerell, Bernard R. Brooks, Yihan Shao	17
8	Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections 2016 ·Journal of Computer-Aided Molecular Design ·Frank C. Pickard, Gerhard König, Florentina Tofoleanu, Juyong Lee, Andrew C. Simmonett, Yihan Shao, Jay W. Ponder, Bernard R. Brooks	26
9	An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations 2016 ·Bioorganic & Medicinal Chemistry ·Frank C. Pickard, Gerhard König, Andrew C. Simmonett, Yihan Shao, Bernard R. Brooks	17
10	Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge 2016 ·Journal of Computer-Aided Molecular Design ·Gerhard König, Frank C. Pickard, Jing Huang, Andrew C. Simmonett, Florentina Tofoleanu, Juyong Lee, Pavlo O. Dral, Samarjeet Prasad, Michael R. Jones, Yihan Shao, Walter Thiel, Bernard R. Brooks	24
11	Efficient High Accuracy Non-Bonded Interactions in the CHARMM Simulation Package 2015 ·Biophysical Journal ·Frank C. Pickard, Andrew C. Simmonett, Bernard R. Brooks	3
12	Density cumulant functional theory: The DC-12 method, an improved description of the one-particle density matrix 2013 ·The Journal of Chemical Physics ·Alexander Yu. Sokolov, Andrew C. Simmonett, Henry F. Schaefer	14
13	The Beryllium Pentamer: Trailing an Uneven Sequence of Dissociation Energies 2012 ·ChemPhysChem ·(unknown), (unknown), Andrew C. Simmonett, K. Compaan, Henry F. Schaefer	5
14	The benzene+OH potential energy surface: intermediates and transition states 2010 ·Physical Chemistry Chemical Physics ·(unknown), Andrew C. Simmonett, Henry F. Schaefer	30
15	From acetylene complexes to vinylidene structures: The GeC₂H₂ system 2010 ·Journal of Computational Chemistry ·Qiang Hao, Andrew C. Simmonett, Yukio Yamaguchi, De‐Cai Fang, Henry F. Schaefer	3
16	A companion perturbation theory for state-specific multireference coupled cluster methods 2009 ·Physical Chemistry Chemical Physics ·Francesco A. Evangelista, Andrew C. Simmonett, Henry F. Schaefer, Debashis Mukherjee, Wesley D. Allen	63
17	Infrared signatures of the NCCO radical 2009 ·Physical Chemistry Chemical Physics ·Peter R. Schreiner, Hans Peter Reisenauer, Edit Mátyus, Attila G. Császár, (unknown), Andrew C. Simmonett, Wesley D. Allen	13
18	Capture of hydroxymethylene and its fast disappearance through tunnelling 2008 ·Nature ·Peter R. Schreiner, Hans Peter Reisenauer, Frank C. Pickard, Andrew C. Simmonett, Wesley D. Allen, Edit Mátyus, Attila G. Császár	249
19	Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems 2008 ·The Journal of Chemical Physics ·Francesco A. Evangelista, Andrew C. Simmonett, Wesley D. Allen, Henry F. Schaefer, Jürgen Gauß	108
20	Renner−Teller Bending Frequencies of the Ã ²Π State of OCS⁺ 2007 ·The Journal of Physical Chemistry A ·Steven E. Wheeler, Andrew C. Simmonett, Henry F. Schaefer	5

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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