Nicholas E. Charron - Publications, H-index & Citations

Nicholas E. Charron

Zuse Institute Berlin

16H指数

37论文数

1.6K被引数

收录论文 14

发表时间

Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy 光谱量子化学与红外共振数据库：用于数据驱动分子光谱学

Scientific Data

IF6.9

2026-04-18

OAAI

Anirudh Krishnadas; Jatin Kansal; Nicholas E. Charron; Anita Ragyanszki

Melting Transitions in Small Aluminum Clusters Simulated with Energies Approaching DFT Accuracy 小铝团簇中的熔化相变：使用接近DFT精度的能量进行模拟

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-11-01

PREAI

Krishnadas, Anirudh; Charron, Nicholas E.; Fournier, Rene

Navigating protein landscapes with a machine-learned transferable coarse-grained model 使用机器学习的可转移粗粒度模型导航蛋白质景观

Nature Chemistry

IF20.2

2025-07-18

OAAI

Nicholas E. Charron; Klara Bonneau; Aldo S. Pasos-Trejo; Andrea Guljas; Yaoyi Chen; Félix Musil; Jacopo Venturin; Daria Gusew; Iryna Zaporozhets; Andreas Krämer; Clark Templeton; Atharva Kelkar; Aleksander E. P. Durumeric; Simon Olsson; Adrià Pérez; Maciej Majewski; Brooke E. Husic; Ankit Patel; Gianni De Fabritiis; Frank Noé; Cecilia Clementi

Machine learning coarse-grained potentials of protein thermodynamics

NATURE COMMUNICATIONS

IF15.7

2023-09-15

OAAI

Majewski, Maciej; Perez, Adria; Tholke, Philipp; Doerr, Stefan; Charron, Nicholas E.; Giorgino, Toni; Husic, Brooke E.; Clementi, Cecilia; Noe, Frank; De Fabritiis, Gianni

Machine learned coarse-grained protein force-fields: Are we there yet?

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2023-04-01

OAAI

Durumeric, Aleksander E. P.; Charron, Nicholas E.; Templeton, Clark; Musil, Felix; Bonneau, Klara; Pasos-Trejo, Aldo S.; Chen, Yaoyi; Kelkar, Atharva; Noe, Frank; Clementi, Cecilia

Multi-body effects in a coarse-grained protein force field

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-04-29

OAAI

Wang, Jiang; Charron, Nicholas; Husic, Brooke; Olsson, Simon; Noe, Frank; Clementi, Cecilia

Coarse graining molecular dynamics with graph neural networks

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-11-16

146

OAAI

Husic, Brooke E.; Charron, Nicholas E.; Lemm, Dominik; Wang, Jiang; Perez, Adria; Majewski, Maciej; Kramer, Andreas; Chen, Yaoyi; Olsson, Simon; de Fabritiis, Gianni; Noe, Frank; Clementi, Cecilia

Automated Bridge Inspection Using Mobile Ground Robotics

JOURNAL OF STRUCTURAL ENGINEERING

IF3.9

2019-11-01

PREAI

Charron, Nicholas; McLaughlin, Evan; Phillips, Stephen; Goorts, Kevin; Narasimhan, Sriram; Waslander, Steven L.

Machine Learning of Coarse-Grained Molecular Dynamics Force Fields

ACS CENTRAL SCIENCE

IF10.4

2019-04-15

361

OAAI