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T

Tsz Wai Ko

University of Toronto

10H-index
39Paper Count
993Citation Count
Published Papers 12
Publication Date
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El Agente Quntur: A research collaborator agent for quantum chemistry
errChem
IF19.6
err2026-09-24
err0
errOAAI
errJuan B. Pérez-Sánchez; Yunheng Zou; Jorge A. Campos-Gonzalez-Angulo; Marcel Müller; Ignacio Gustin; Andrew Wang; Han Hao; Tsz Wai Ko; Changhyeok Choi; Eric S. Isbrandt; Mohammad Ghazi Vakili; Hanyong Xu; Chris Crebolder; Varinia Bernales; Alán Aspuru-Guzik
errShare
errSave
Superionic Surface Li-Ion Transport in Carbonaceous Materials
errNano Letters
IF9.1
err2025-08-15
err0
errOAAI
errJianbin Zhou; Shen Wang; Chaoshan Wu; Ji Qi; Hongli Wan; Shen Lai; Tsz Wai Ko; Zhaohui Liang; Shijie Feng; Ke Zhou; Nimrod Harpak; Mengchen Liu; Zeyu Hui; Paulina J. Ai; Haodong Liu; Wenlin Yan; Yang Ha; Min-Jae Kim; Kent Griffith; Chunsheng Wang; Shyue Ping Ong; Yan Yao; Ping Liu
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errSave
Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
errnpj Computational Materials
IF11.9
err2025-08-05
err0
errOAAI
errTsz Wai Ko; Bowen Deng; Marcel Nassar; Luis Barroso-Luque; Runze Liu; Ji Qi; Atul C. Thakur; Adesh Rohan Mishra; Elliott Liu; Gerbrand Ceder; Santiago Miret; Shyue Ping Ong
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errSave
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
errOAAI
errKocer, Emir; Singraber, Andreas; Finkler, Jonas A.; Misof, Philipp; Ko, Tsz Wai; Dellago, Christoph; Behler, Joerg
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errSave
Data-efficient construction of high-fidelity graph deep learning interatomic potentials
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2025-03-07
err0
errOAAI
errKo, Tsz Wai; Ong, Shyue Ping
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errSave
Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-02-26
err8
errOAAI
errQi, Ji; Ko, Tsz Wai; Wood, Brandon C.; Pham, Tuan Anh; Ong, Shyue Ping
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errSave
Recent advances and outstanding challenges for machine learning interatomic potentials
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-12-13
err26
PREAI
errKo, Tsz Wai; Ong, Shyue Ping
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errSave
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-08
err25
errOAAI
errKo, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
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errSave
Neural Network Potentials: A Concise Overview of Methods
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2022-04-20
err135
errOAAI
errKocer, Emir; Ko, Tsz Wai; Behler, Joerg
errShare
errSave
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-01-29
err87
PREAI
errKo, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
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errSave
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
errNATURE COMMUNICATIONS
IF15.7
err2021-01-15
err294
errOAAI
errKo, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
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errSave
Exploring the Compositional Ternary Diagram of Ge/S/Cu Glasses for Resistance Switching Memories
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-03-15
err6
errOAAI
errOnofrio, Nicolas; Ko, Tsz Wai
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errSave

Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
G
Gerbrand Ceder
H-index: 166 · Papers: 1.1K
Wang, Chunsheng cover
Wang, Chunsheng (Chunsheng Wang)
H-index: 160 · Papers: 797
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 939
S
Shyue Ping Ong
H-index: 88 · Papers: 491
J
Jörg Behler
H-index: 61 · Papers: 205
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