Simon Boothroyd

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 19 papers. Top paper: “Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field”.

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2020)10.26434/chemrxiv.13082561.v2

N/A

0DataRank · unranked

31 citations

Daniel G. A. Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v3

N/A

0DataRank · unranked

18 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v4

N/A

0DataRank · unranked

6 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2021)10.26434/chemrxiv-2021-gsgr4-v2

N/A

0DataRank · unranked

3 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2021)10.26434/chemrxiv-2021-gsgr4

N/A

0DataRank · unranked

2 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v4

N/A

0DataRank · unranked

1 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v3

N/A

0DataRank · unranked

0 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

Journal of Chemical Information and Modeling(2022)10.1021/acs.jcim.2c01153

N/A

0DataRank · unranked

61 citations

Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David Dotson +8 more

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2022)10.26434/chemrxiv-2022-n2z1c

N/A

0DataRank · unranked

9 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization At Scale

ChemRxiv(2022)10.26434/chemrxiv-2022-6h628

N/A

0DataRank · unranked

8 citations

Simon Boothroyd, Jeffrey Wagner, Joshua Mitchell, Trevor Gokey, David Dotson +8 more

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2022)10.26434/chemrxiv-2021-gsgr4-v3

N/A

0DataRank · unranked

7 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

physical_validation: A Python package to assess the physical validity of molecular simulation results

The Journal of Open Source Software(2022)10.21105/joss.03981

N/A

0DataRank · unranked

1 citations

Wei-Tse Hsu, Matt Thompson, Simon Boothroyd, Chris Walker, Michael R. Shirts +1 more

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00039

N/A

0DataRank · unranked

193 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

A transferable double exponential potential for condensed phase simulations of small molecules

Digital Discovery(2023)10.1039/d3dd00070b

N/A

0DataRank · unranked

16 citations

Simon Boothroyd, Pavan Kumar Behara, David L. Mobley, Daniel J. Cole, Joshua T. Horton

Tuning Potential Functions to Host–Guest Binding Data

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c01050

N/A

0DataRank · unranked

9 citations

Simon Boothroyd, David R. Slochower, David Dotson, Matthew W. Thompson, Jeffrey Wagner +3 more

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2023)10.26434/chemrxiv-2022-n2z1c-v2

N/A

0DataRank · unranked

21 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

A transferable double exponential potential for condensed phase simulations of small molecules

ChemRxiv(2023)10.26434/chemrxiv-2023-28r9s

N/A

0DataRank · unranked

4 citations

Simon Boothroyd, Pavan Kumar Behara, David L. Mobley, Daniel J. Cole, Joshua T. Horton

Tuning Potential Functions to Host–Guest Binding Data

ChemRxiv(2023)10.26434/chemrxiv-2023-dwlf1

N/A

0DataRank · unranked

1 citations

Simon Boothroyd, David R. Slochower, David Dotson, Matthew W. Thompson, Jeffrey Wagner +3 more

A graph neural network charge model targeting accurate electrostatic properties of organic molecules

ChemRxiv(2025)10.26434/chemrxiv-2025-4tmbz

N/A

0DataRank · unranked

1 citations

Joshua T. Horton, Lily Wang, Simon Boothroyd, David L. Mobley, David Wright +2 more