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The Journal of Physical Chemistry. A
|
November 30, 2020
Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments
Imanuel Bier, Noa Marom
Journal of Chemical Theory and Computation
|
June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials
Dana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
The Journal of Chemical Physics
|
July 3, 2020
Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction
Shuyang Yang, Imanuel Bier, Wen Wen, et al.
Crystal Growth & Design
|
January 4, 2024
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX
Dana O'Connor, Imanuel Bier, Rithwik Tom, et al.
Journal of Chemical Theory and Computation
|
April 23, 2026
Structure Prediction of Organic/Inorganic Interfaces with Genarris
Haoran Ni, Kevin Larkin, Wen Wen, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 31, 2023
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Rithwik Tom, Siyu Gao, Yi Yang, et al.
Nature Communications
|
March 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Dong Zhou, Imanuel Bier, Biswajit Santra, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
November 30, 2020
Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments
Imanuel Bier, Noa Marom
Journal of Chemical Theory and Computation
|
June 27, 2022
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials
Dana O'Connor, Imanuel Bier, Yun-Ting Hsieh, et al.
The Journal of Chemical Physics
|
July 3, 2020
Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction
Shuyang Yang, Imanuel Bier, Wen Wen, et al.
Crystal Growth & Design
|
January 4, 2024
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX
Dana O'Connor, Imanuel Bier, Rithwik Tom, et al.
Journal of Chemical Theory and Computation
|
April 23, 2026
Structure Prediction of Organic/Inorganic Interfaces with Genarris
Haoran Ni, Kevin Larkin, Wen Wen, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 31, 2023
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Rithwik Tom, Siyu Gao, Yi Yang, et al.
Nature Communications
|
March 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Dong Zhou, Imanuel Bier, Biswajit Santra, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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of 1