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W

William C. Witt

Harvard University

14H指数
44论文数
942被引数
收录论文 12
发表时间
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How reactive is water at the nanoscale and how to control it?水在纳米尺度上的反应活性如何以及如何控制？
errScience Advances
IF12.5
err2026-06-24
err0
errOAAI
errXavier R. Advincula; Yair Litman; Kara D. Fong; William C. Witt; Christoph Schran; Angelos Michaelides
err分享
err收藏
High-performance training and inference for deep equivariant interatomic potentials深等变原子间势的高性能训练和推理
errDigital Discovery
IF5.6
err2026-03-27
err0
errOAAI
errChuin Wei Tan †; Marc L. Descoteaux †; Mit Kotak; Gabriel de Miranda Nascimento; Seán R. Kavanagh; Laura Zichi; Menghang Wang; Aadit Saluja; Yizhong R. Hu; Tess Smidt; Anders Johansson; William C. Witt; Boris Kozinsky; Albert Musaelian
err分享
err收藏
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water迈向具有Delta-Learned耦合簇精度的常规凝聚相模拟：液态水的应用
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-07
err0
errOAAI
errNiamh O’Neill; Benjamin X. Shi; William J. Baldwin; William C. Witt; Gábor Csányi; Julian D. Gale; Angelos Michaelides; Christoph Schran
err分享
err收藏
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic MoleculesMACE-OFF: 有机分子的短程可转移机器学习力场
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-05-19
err0
errOAAI
errKovacs, David Peter; Moore, J. Harry; Browning, Nicholas J.; Batatia, Ilyes; Horton, Joshua T.; Pu, Yixuan; Kapil, Venkat; Witt, William C.; Cole, Daniel J.; Csanyi, Gabor
err分享
err收藏
Vibrational and thermal properties of amorphous alumina from first principles
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-04-02
err4
errOAAI
errHarper, Angela F.; Iwanowski, Kamil; Witt, William C.; Payne, Mike C.; Simoncelli, Michele
err分享
err收藏
ACEpotentials.jl: A Julia implementation of the atomic cluster expansionAceat势.jl: 原子簇扩展的Julia实现
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-23
err17
errOAAI
errWitt, William C.; van der Oord, Cas; Gelzinyte, Elena; Jarvinen, Teemu; Ross, Andres; Darby, James P.; Ho, Cheuk Hin; Baldwin, William J.; Sachs, Matthias; Kermode, James; Bernstein, Noam; Csanyi, Gabor; Ortner, Christoph
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Developments and further applications of ephemeral data derived potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-10
err12
errOAAI
errSalzbrenner, Pascal T.; Joo, Se Hun; Conway, Lewis J.; Cooke, Peter I. C.; Zhu, Bonan; Matraszek, Milosz P.; Witt, William C.; Pickard, Chris J.
err分享
err收藏
Automatic differentiation for orbital-free density functional theory无轨道密度泛函理论的自动微分
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-23
err12
errOAAI
errTan, Chuin Wei; Pickard, Chris J. J.; Witt, William C. C.
err分享
err收藏
Kinetic energy density of nearly free electrons. II. Response functionals of the electron density
errPHYSICAL REVIEW B
IF3.7
err2019-09-03
err13
errOAAI
errWitt, William C.; Carter, Emily A.
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Kinetic energy density of nearly free electrons. I. Response functionals of the external potential
errPHYSICAL REVIEW B
IF3.7
err2019-09-03
err12
errOAAI
errWitt, William C.; Carter, Emily A.
err分享
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Upper bound to the gradient-based kinetic energy density of noninteracting electrons in an external potential
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-08-14
err5
errOAAI
errWitt, William C.; Jiang, Kaili; Carter, Emily A.
err分享
err收藏
libKEDF: An Accelerated Library of Kinetic Energy Density FunctionalslibKEDF: 动能密度泛函的加速库
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-04-20
err10
PREAI
errDieterich, Johannes M.; Witt, William C.; Carter, Emily A.
err分享
err收藏

研究方向

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合作学者
合作期刊
E
Emily A. Carter
H 指数: 102 · 论文数: 718
C
Chris J. Pickard
H 指数: 92 · 论文数: 512
A
Angelos Michaelides
H 指数: 84 · 论文数: 399
J
Julian D. Gale
H 指数: 77 · 论文数: 448
G
Gábor Cśanyi
H 指数: 72 · 论文数: 319
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