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I

Imanuel Bier

Carnegie Mellon University

12H指数
20论文数
303被引数
收录论文 9
发表时间
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Structure Prediction of Organic/Inorganic Interfaces with Genarris有机/无机界面结构的预测与Genarris
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
errOAAI
errHaoran Ni; Kevin Larkin; Wen Wen; Saeed Moayedpour; Rithwik Tom; Imanuel Bier; Derek Dardzinski; Noa Marom
err分享
err收藏
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study一种支持小分子药物开发、具有大规模验证和盲法研究的稳健晶体结构预测方法
errNATURE COMMUNICATIONS
IF15.7
err2025-03-05
err1
errOAAI
errZhou, Dong; Bier, Imanuel; Santra, Biswajit; Jacobson, Leif D.; Wu, Chuanjie; Suarez, Adiran Garaizar; Almaguer, Barbara Ramirez; Yu, Haoyu; Abel, Robert; Friesner, Richard A.; Wang, Lingle
err分享
err收藏
Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX
errCRYSTAL GROWTH & DESIGN
IF3.4
err2023-08-17
err4
errOAAI
errO'Connor, Dana; Bier, Imanuel; Tom, Rithwik; Hiszpanski, Anna M.; Steele, Brad A.; Marom, Noa
err分享
err收藏
Structure Prediction of Epitaxial Organic Interfaces with Ogre, Demonstrated for Tetracyanoquinodimethane (TCNQ) on Tetrathiafulvalene (TTF)与Ogre的外延有机界面的结构预测，证明了四硫富瓦烯 (TTF) 上的四氰基喹啉二甲烷 (TCNQ)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-05-22
err7
errOAAI
errMoayedpour, Saeed; Bier, Imanuel; Wen, Wen; Dardzinski, Derek; Isayev, Olexandr; Marom, Noa
err分享
err收藏
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization通过基于特性的遗传算法优化具有增强的单重态裂变性能的并四苯多晶型物的逆向设计
errCHEMISTRY OF MATERIALS
IF7
err2023-01-21
err10
errOAAI
errTom, Rithwik; Gao, Siyu; Yang, Yi; Zhao, Kaiji; Bier, Imanuel; Buchanan, Eric A.; Zaykov, Alexandr; Havlas, Zdenek; Michl, Josef; Marom, Noa
err分享
err收藏
Predicting Electrolyte Conductivity Directly from Molecular-Level Interactions直接从分子级相互作用预测电解质电导率
errACS ENERGY LETTERS
IF18.2
err2022-10-24
err7
PREAI
errZhang, Yumin; Bier, Imanuel; Viswanathan, Venkatasubramanian
err分享
err收藏
Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-27
err12
PREAI
errO'Connor, Dana; Bier, Imanuel; Hsieh, Yun-Ting; Marom, Noa
err分享
err收藏
Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-26
err17
errOAAI
errYang, Shuyang; Bier, Imanuel; Wen, Wen; Zhan, Jiawei; Moayedpour, Saeed; Marom, Noa
err分享
err收藏
Genarris 2.0: A random structure generator for molecular crystalsGenarris 2.0: 分子晶体的随机结构发生器
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-05-01
err22
errOAAI
errTom, Rithwik; Rose, Timothy; Bier, Imanuel; O'Brien, Harriet; Vazquez-Mayagoitia, Alvaro; Marom, Noa
err分享
err收藏

研究方向

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合作学者
合作期刊
R
Richard A. Friesner
H 指数: 107 · 论文数: 486
J
Josef Michl
H 指数: 84 · 论文数: 1.1K
文
文雯 (Wen Wen)
H 指数: 58 · 论文数: 488
V
Venkatasubramanian Viswanathan
H 指数: 58 · 论文数: 342
O
Olexandr Isayev
H 指数: 55 · 论文数: 278
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