🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Gregory J. O. Beran

University of California, Riverside

ORCID: 0000-0002-2229-2580

Also affiliated with Macclesfield College, University of California System

Physics and AstronomyChemistryMaterials Science

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 16 papers. Top paper: “Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods”.

Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods

Chemical Science(2020)10.1039/c9sc05689k

N/A

0DataRank · unranked

71 citations

Jessica L. McKinley, Peiyu Zhang, Qun Zeng, Guangxu Sun, Bochen Li +3 more

Polarizable continuum models provide an effective electrostatic embedding model for fragment‐based chemical shift prediction in challenging systems

Journal of Computational Chemistry(2020)10.1002/jcc.26388

N/A

0DataRank · unranked

18 citations

Gregory J. O. Beran, Pablo A. Unzueta

Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod

Chemical Science(2020)10.1039/d0sc05118g

N/A

0DataRank · unranked

35 citations

Xinning Dong, Fei Tong, Ryan A. Kudla, Lingyan Zhu, Adam D. Gill +11 more

Modeling the α - and β -resorcinol phase boundary via combination of density functional theory and density functional tight-binding

The Journal of Chemical Physics(2021)10.1063/5.0044385

N/A

0DataRank · unranked

14 citations

Jessica L. McKinley, Gregory J. O. Beran, Cameron Cook

Spin-component-scaled and dispersion-corrected second-order Møller-Plesset perturbation theory: A path toward chemical accuracy

(2021)10.33774/chemrxiv-2021-jdv3c

N/A

0DataRank · unranked

4 citations

Jan Řezáč, Gregory J. O. Beran, Chandler Greenwell

Spin-component-scaled and dispersion-corrected second-order Møller-Plesset perturbation theory: A path toward chemical accuracy

ChemRxiv(2021)10.26434/chemrxiv-2021-jdv3c

N/A

0DataRank · unranked

0 citations

Jan Řezáč, Gregory J. O. Beran, Chandler Greenwell

A theoretical framework for the design of molecular crystal engines

Chemical Science(2022)10.1039/d2sc05549j

N/A

0DataRank · unranked

28 citations

Wangxiang Li, Brandon F. Lui, Thomas J. Gately, Rabih O. Al‐Kaysi, Leonard J. Mueller +3 more

Spin-component-scaled and dispersion-corrected second-order Møller–Plesset perturbation theory: a path toward chemical accuracy

Physical Chemistry Chemical Physics(2022)10.1039/d1cp04922d

N/A

0DataRank · unranked

26 citations

Jan Řezáč, Gregory J. O. Beran, Chandler Greenwell

The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions

Faraday Discussions(2024)10.1039/d4fd00072b

N/A

0DataRank · unranked

17 citations

Leonard J. Mueller, Gregory J. O. Beran, Sebastian A. Ramos

Using Chemical Substitution to Engineer Photomechanical Cinnamalmalononitrile Crystals

Crystal Growth & Design(2024)10.1021/acs.cgd.4c01033

N/A

0DataRank · unranked

6 citations

Cody J. Perry, Sophie Weiss, Kevin Lam, Imadul Islam, Mohammed Almtiri +5 more

Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction

Acta Crystallographica Section B Structural Science Crystal Engineering and Materials(2024)10.1107/s2052520624005043

N/A

0DataRank · unranked

6 citations

Cameron Cook, Pablo A. Unzueta, Gregory J. O. Beran

Investigating Cooperative Reactivity in Photomechanical Crystals Using First-Principles Density Functional Theory

Crystal Growth & Design(2025)10.1021/acs.cgd.5c00071

N/A

0DataRank · unranked

5 citations

Gregory J. O. Beran, Cody J. Perry

From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal forms

Chemical Science(2025)10.1039/d5sc06271c

N/A

0DataRank · unranked

1 citations

Gregory J. O. Beran

From Polymorphs to Cocrystals and Salts: Successfully Predicting Axitinib's Challenging Crystal Forms

ChemRxiv(2025)10.26434/chemrxiv-2025-67z8b

N/A

0DataRank · unranked

1 citations

Gregory J. O. Beran

Taming Tautomerism in Organic Crystal Structure Prediction

ChemRxiv(2025)10.26434/chemrxiv-2025-288td

N/A

0DataRank · unranked

0 citations

Sebastian A. Ramos, Maria C. Phelps, Leonard J. Mueller, Gregory J. O. Beran, Cody J. Perry

Photomechanical Anthracenophane Crystals: Theory, Experiment, and Composite Actuator Performance

Crystal Growth & Design(2025)10.1021/acs.cgd.5c00851

N/A

0DataRank · unranked

0 citations

Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward +5 more