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Liwen F. Wan

national institute of standards and technology

28H-index
125Paper Count
5.3KCitation Count
Published Papers 61
Publication Date
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Machine-Learning-Assisted Elucidation of Ion Transport Mechanism in Heterogeneous Interphases Formed at the Electrolyte–Electrode Interfaces
errAdvanced Energy Materials
IF26
err2026-07-27
err0
PREAI
errWonseok Jeong; Nicole Adelstein; Suyue Yuan; Steven Jay Jue; Spencer R. Kirkman; Liwen F. Wan
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errSave
Elimination of detrimental grain boundary segregation in Garnets
errNature Communications
IF15.7
err2026-06-29
err0
errOAAI
errKai Yao; Kwangnam Kim; Dylan Jennings; Jan Dippell; Lei Jin; Meng Ma; Xingyu Liu; Qianli Ma; Walter Sebastian Scheld; Christoph Roitzheim; Yuan Zeng; Timo Danner; Olivier Guillon; Mark Huijben; Johan E. ten Elshof; Liwen F. Wan; Arnulf Latz; Brandon C. Wood; Martin Finsterbusch; Dina Fattakhova-Rohlfing
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errSave
Elucidating Lithium Transport Mechanisms in Disordered LiF from Machine-Learning Molecular Dynamics Simulations
errACS Materials Letters
IF8.7
err2026-05-22
err0
errOAAI
errSuyue Yuan; Nikhil Rampal; Nicole Adelstein; Liwen F. Wan
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errSave
Many-Body Benchmark of Electronic Charge and Spin Densities for Li1–xNiO2
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-20
err0
errOAAI
errAbdul Ghaffar; Shenli Zhang; Liwen F. Wan; Kayahan Saritas; Fernando A. Reboredo; Jaron T. Krogel
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errSave
Tailored PolyMOFs for Ion Transport in Lithium-based Battery Electrolyte
errinorg. chem. front.
IF0
err2026-04-10
err0
errOAAI
errIan J Dillingham; Vibhu V. Singh; Rebecca Y. Han; Liwen Wan; V. Sara Thoi
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errSave
Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon
errEnergy Storage Materials
IF20.2
err2026-02-11
err0
PREAI
errNikhil Rampal; Stephen E. Weitzner; Fredrick Omenya; Marissa Wood; David M. Reed; Xiaolin Li; Jonathan R.I. Lee; Liwen F. Wan
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Atomic-scale vacancy engineering unlocks basal-plane catalytic activity in metallic WSe2 for reversible oxygen electrocatalysis
errmaterials science and engineering: r: reports
IF0
err2026-01-19
err0
errOAAI
errJoo-Won Lee; Sung-Chul Kim; Sichi Li; Cheol-Hui Ryu; Sungju Jun; Taehun Im; Liwen F. Wan; Min-Seok Kim; So-Hye Cho; Gwang-Hee Lee; Sohee Jeong
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Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning
errNext Materials
IF0
err2025-10-01
err0
errOAAI
errSun, Wenyu; Ridwan, Osman Goni; Jeong, Wonseok; Kucheyev, Sergei O.; Zhu, Qiang; Wan, Liwen F.
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An Unwanted Guest in the Electrochemical Oxidation of High-Voltage Li-ion Battery Electrolytes: The Life of Highly Reactive Protons
errEnergy Environ. Sci.
IF30.8
err2025-07-25
err0
errOAAI
errStefan Ilic; Milena Zorko; Haoyu Liu; Pedro Farinazzo Bergamo Dias Martins; Dominik Haering; Jingtian Yang; Toru Hatsukade; Bostjan Genorio; Stephen Weitzner; Liwen Wan; Zhengcheng Zhang; Justin G. Connell; Baris Key; Jordi Cabana; Dusan Strmcnik
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errSave
Benchmarking Density Functional Theory Methods for Efficient Calculations of a Strongly Correlated Li1–xNi1–yO2−δ System
errACS Applied Energy Materials
IF5.5
err2025-06-23
err0
PREAI
errShenli Zhang; Wenyu Sun; Eder G. Lomeli; Wonseok Jeong; Stephen E. Weitzner; Liwen F. Wan
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Cross-scale modeling and experimental integration for advancing cathode electrolyte interphase studies in high energy density lithium-ion batteries
errEnergy Storage Materials
IF20.2
err2025-06-01
err0
PREAI
errStephen E. Weitzner; Bo Wang; Nikhil Rampal; Wonseok Jeong; Suyue Yuan; Shenli Zhang; Giovanna Bucci; Nicole Adelstein; Shan Yan; Amy C. Marschilok; Liwen F. Wan
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errSave
Microstructure-Dependent Sodium Storage Mechanisms in Hard Carbon Anodes
errSMALL
IF12.1
err2025-05-29
err0
PREAI
errLuis Kitsu Iglesias; Samuel D. Marks; Nikhil Rampal; Emma N. Antonio; Rafael de Ferreira de Menezes; Liang Zhang; Daniel Olds; Stephen E. Weitzner; Kayla G. Sprenger; Liwen F. Wan; Michael F. Toney
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Financial Geographic Accessibility and Corporate Innovation: An Analysis of Spatial Synergy Based on Land Use and Environmental Sustainability
errLAND DEGRADATION & DEVELOPMENT
IF3.7
err2025-05-21
err0
PREAI
errYuping Shang; Long Zheng; Liwen Wan; Dariusz Cichoń; László Vasa; Xin Zhao
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errSave
First-Principles Simulations Correlating X-ray Absorption Spectroscopy Features to Point Defects in h-BN
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-04-10
err0
PREAI
errSun, Wenyu; Seo, Minsuk; Bayu Aji, Leonardus Bimo; Taylor, Gregory V.; Baker, Alexander A.; Kucheyev, Sergei O.; Wan, Liwen F.
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First-principles elucidation of defect-mediated Li transport in hexagonal boron nitride
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errZhou, Yilong; Kucheyev, S. O.; Wan, Liwen F.
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errSave
Multistep Growth Pathway of Covalent Organic Framework Onion Nanostructures
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-11-22
err0
PREAI
errZheng, Qi; Ren, Amy; Zagalskaya, Alexandra; Mao, Haiyan; Lee, Daewon; Yang, Chongqing; Bustillo, Karen C.; Wan, Liwen F.; Pham, Tuan Anh; Reimer, Jeffrey A.; Zhang, Jian; Liu, Yi; Zheng, Haimei
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Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li7La3Zr2O12-LiCoO2
errENERGY STORAGE MATERIALS
IF20.2
err2024-11-01
err0
PREAI
errFeng, Longsheng; Wang, Bo; Kim, Kwangnam; Wan, Liwen F.; Wood, Brandon C.; Heo, Tae Wook
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Assessing the Influence of Open Innovation among Chinese Cities on Enterprise Carbon Emissions
errSUSTAINABILITY
IF3.3
err2024-08-15
err0
errOAAI
errChen, Xiaoyan; Wan, Liwen; Cheng, Qunqun; Shang, Yuping
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Effects of Nonequilibrium Atomic Structure on Ionic Diffusivity in LLZO: A Classical and Machine Learning Molecular Dynamics Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-05-16
err3
PREAI
errGrieder, Andrew C.; Kim, Kwangnam; Wan, Liwen F.; Chapman, James; Wood, Brandon C.; Adelstein, Nicole
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Integrating Machine Learning Potential and X-ray Absorption Spectroscopy for Predicting the Chemical Speciation of Disordered Carbon Nitrides
errCHEMISTRY OF MATERIALS
IF7
err2024-04-22
err1
PREAI
errJeong, Wonseok; Sun, Wenyu; Andrade, Marcos F. Calegari; Wan, Liwen F.; Willey, Trevor M.; Nielsen, Michael H.; Pham, Tuan Anh
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Research Directions

No research directions
Co-authors
Cooperation Journals
J
Jeffrey R. Long
H-index: 148 · Papers: 1.1K
陈龙清 cover
陈龙清 (Long‐Qing Chen)
H-index: 144 · Papers: 1.6K
M
Michael F. Toney
H-index: 140 · Papers: 1.0K
L
Linda F. Nazar
H-index: 132 · Papers: 461
Y
Yanfa Yan
H-index: 130 · Papers: 899
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