Concepedia

Xingyi Guan

XG

10

Publications

455

Citations

10

H-Index

2020

Active since

Affiliations

University of California, Berkeley(Current)

Lawrence Berkeley National Laboratory

Queen's University

Pennsylvania State University

University of Duisburg-Essen

Xingyi Guan is an author at University of California, Berkeley specializing in engineering, computational chemistry, and chemistry.

Top concepts

EngineeringChemistryComputational ChemistryData ScienceMachine LearningChemical KineticsPhysicsMedicineMechanicsBiophysics

Publications per year

2020–2025

10

Publications

10

NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces

Mojtaba Haghighatlari, Jie Li, Xingyi Guan et al. · Digital Discovery · 2022 · 122 citations · Full text

Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods

Mojtaba Haghighatlari, Jie Li, Farnaz Heidar‐Zadeh et al. · Chem · 2020 · 114 citations · Full text

Feature Representation, Engineering, Machine Learning +10

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields

Itai Leven, Hongxia Hao, Songchen Tan et al. · Journal of Chemical Theory and Computation · 2021 · 75 citations · Full text

Engineering, Mechanical Engineering, Reactive Force Field +21

A benchmark dataset for Hydrogen Combustion

Xingyi Guan, Akshaya Kumar Das, Christopher J. Stein et al. · Scientific Data · 2022 · 25 citations · Full text

Using machine learning to go beyond potential energy surface benchmarking for chemical reactivity

Xingyi Guan, Joseph P. Heindel, Taehee Ko et al. · Nature Computational Science · 2023 · 24 citations

Chemical Engineering, Engineering, Machine Learning +9

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