Gregory J. O. Beran

University of California, Riverside — United States

Physics and Astronomy · Physical Sciences

42h-index11.2kcitations187works5.22yr avg
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Research Topics

Advanced Chemical Physics Studies(51), Crystallography and molecular interactions(48), X-ray Diffraction in Crystallography(44), Crystallization and Solubility Studies(40), Spectroscopy and Quantum Chemical Studies(28)

Publications187 total

From Polymorphs to Cocrystals and Salts: Successfully Predicting Axitinib's Challenging Crystal Forms
2025
Lattice Energy Partitions in Crystals of Flexible Molecules and the 40% Limit
Journal of the American Chemical Society·2025· 4 citedOpen Access
EP.17.21 A Digital Health Solution for Monitoring Pulmonary Symptoms in Cancer Treatment
Journal of Thoracic Oncology·2025
Photomechanical Anthracenophane Crystals: Theory, Experiment, and Composite Actuator Performance
Crystal Growth & Design·2025
From Polymorphs to Cocrystals and Salts: Successfully Predicting Axitinib's Challenging Crystal Forms
2025· 1 citedOpen Access
Radical-Initiated Photodissociation at Tryptophan Residues within Intact Proteins in the Gas Phase
Journal of the American Chemical Society·2025· 2 cited
Taming Tautomerism in Organic Crystal Structure Prediction
Journal of the American Chemical Society·2025· 1 cited
Taming Tautomerism in Organic Crystal Structure Prediction
2025Open Access
Investigating Cooperative Reactivity in Photomechanical Crystals Using First-Principles Density Functional Theory
Crystal Growth & Design·2025· 4 cited
Predicting Solid-state NMR Observables <i>via</i> Machine Learning
2025
From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal forms
Chemical Science·2025Open Access
Big data and simulations in NMR crystallography: general discussion
Faraday Discussions·2024
Challenges and opportunities for NMR calculations: general discussion
Faraday Discussions·2024· 1 cited
Distinctive Photomechanical Shape Change of <i>p</i>‐Phenylenediacrylic Acid Dimethyl Ester Single Crystals Induced by a Spatially Heterogeneous Photoreaction
Angewandte Chemie·2024· 1 citedOpen Access
Distinctive Photomechanical Shape Change of <i>p</i>‐Phenylenediacrylic Acid Dimethyl Ester Single Crystals Induced by a Spatially Heterogeneous Photoreaction
Angewandte Chemie International Edition·2024· 8 citedOpen Access
Using Chemical Substitution to Engineer Photomechanical Cinnamalmalononitrile Crystals
Crystal Growth & Design·2024· 6 citedOpen Access
The seventh blind test of crystal structure prediction: structure ranking methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 59 citedOpen Access
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· 6 citedOpen Access
Light-Triggered Rolling and Unrolling of Molecular Crystal Microsheets
Crystal Growth & Design·2024· 9 cited
Using Chemical Substitution to Engineer Photomechanical Cinnamalmalononitrile Crystals
2024
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Frequent Co-authors

Shuhao Wen(8), Joshua D. Hartman(8), Kaushik Nanda(6), Chandler Greenwell(6), Martin Head‐Gordon(5), Yuanhang Huang(4), Yonaton N. Heit(4), Yihan Shao(3), Brian Austin(3), Alexander J. Sodt(3), Steven R. Gwaltney(3), William H. Green(3), Graeme M. Day(3), Ctirad Červinka(3), Valentine I. Vullev(3), Andrew T. B. Gilbert(2), Jörg Kußmann(2), Emil Proynov(2), Young Min Rhee(2), Ryan P. Steele(2)