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Imanuel Bier
Imanuel Bier
PhD and NSF GRFP Fellow, Carngie Mellon University
Verified email at andrew.cmu.edu - Homepage
Title
Cited by
Cited by
Year
Computational Fluid Dynamics Studies of a Flow Reactor: Free Energies of Clusters of Sulfuric Acid with NH3 or Dimethyl Amine
DR Hanson, I Bier, B Panta, CN Jen, PH McMurry
The Journal of Physical Chemistry A 121 (20), 3976-3990, 2017
222017
Genarris 2.0: A random structure generator for molecular crystals
R Tom, T Rose, I Bier, H O’Brien, Á Vázquez-Mayagoitia, N Marom
Computer Physics Communications 250, 107170, 2020
192020
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
182020
Crystal structure prediction of energetic materials and a twisted arene with Genarris and GAtor
I Bier, D O'Connor, YT Hsieh, W Wen, A Hiszpanski, TYJ Han, N Marom
CrystEngComm, 2021
172021
Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments
I Bier, N Marom
The Journal of Physical Chemistry A 124 (49), 10330-10345, 2020
92020
Performance of dispersion-inclusive density functional theory methods for energetic materials
D O’Connor, I Bier, YT Hsieh, N Marom
Journal of Chemical Theory and Computation 18 (7), 4456-4471, 2022
72022
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
R Tom, S Gao, Y Yang, K Zhao, I Bier, EA Buchanan, A Zaykov, Z Havlas, ...
Chemistry of Materials 35 (3), 1373-1386, 2023
52023
Predicting Electrolyte Conductivity Directly from Molecular-Level Interactions
Y Zhang, I Bier, V Viswanathan
ACS Energy Letters 7 (11), 4061-4070, 2022
32022
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
22023
Modeling mayfly nymph length distribution and population dynamics across a gradient of stream temperatures and stream types
J Anthony, J Baccam, I Bier, E Gregg, L Halverson, R Mulcahy, E Okanla, ...
12018
A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies
D Zhou, M Bier, B Santra, L Jacobson, C Wu, P Skrdla, P Devine, H Yu, ...
2024
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX
D O’Connor, I Bier, R Tom, AM Hiszpanski, BA Steele, N Marom
Crystal Growth & Design 23 (9), 6275-6289, 2023
2023
Beyond Zeroth Order Molecular Crystal Structure Prediction: Crystal Habit Prediction, Property Optimization, and Temperature Effects
IE Bier
Carnegie Mellon University, 2022
2022
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