Ogre: A python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction S Yang, I Bier, W Wen, J Zhan, S Moayedpour, N Marom The Journal of Chemical Physics 152 (24), 2020 | 20 | 2020 |
Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor I Bier, D O'Connor, YT Hsieh, W Wen, AM Hiszpanski, TYJ Han, N Marom CrystEngComm 23 (35), 6023-6038, 2021 | 17 | 2021 |
Structure Prediction of Epitaxial Organic Interfaces with Ogre, Demonstrated for Tetracyanoquinodimethane (TCNQ) on Tetrathiafulvalene (TTF) S Moayedpour, I Bier, W Wen, D Dardzinski, O Isayev, N Marom The Journal of Physical Chemistry C 127 (21), 10398-10410, 2023 | 2 | 2023 |
Polar Crystal Habit and 3D Electron Diffraction Reveal the Malaria Pigment Hemozoin as a Selective Mixture of Centrosymmetric and Chiral Stereoisomers PB Klar, D Waterman, T Gruene, D Mullick, Y Song, JB Gilchrist, CD Owen, ... | 1 | 2022 |
Polar Crystal Habit and 3D Electron Diffraction Reveal the Malaria Pigment Hemozoin as a Selective Mixture of Centrosymmetric and Chiral Stereoisomers ME Paul Benjamin Klar, David Waterman, Tim Gruene, Debakshi Mullick, Yun ... bioRxiv, 2022 | | 2022 |
Genarris 4.0: Random Structure Generator for Organic/Inorganic Interfaces W Wen, S Moayedpour, R Tom, I Bier, D Dardzinski, N Marom Structure Prediction of Organic/Inorganic Interfaces from First Principles, 134, 2022 | | 2022 |
Structure Prediction of Organic/Inorganic Interfaces from First Principles W Wen | | 2022 |