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E

Evan Walter Clark Spotte‐Smith

Carnegie Mellon University

15H指数
89论文数
1.2K被引数
收录论文 24
发表时间
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Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs基于梯度的复杂纳米颗粒异质结构的优化通过在异质图上的深度学习实现
errNature Computational Science
IF18.3
err2025-12-08
err0
PREAI
errEric Sivonxay; Lucas Attia; Evan Walter Clark Spotte-Smith; Benjamin Sanchez-Lengeling; Xiaojing Xia; Daniel Barter; Emory M. Chan; Samuel M. Blau
err分享
err收藏
Considering the ethics of large machine learning models in the chemical sciences考虑大型机器学习模型在化学科学中的伦理问题
errmachine learning science and technology
IF0
err2025-07-17
err0
PREAI
errEvan Walter Clark Spotte-Smith
err分享
err收藏
Accelerated data-driven materials science with the Materials Project通过材料项目加速数据驱动的材料科学
errNature Materials
IF38.5
err2025-07-03
err0
PREAI
errMatthew K. Horton; Patrick Huck; Ruo Xi Yang; Jason M. Munro; Shyam Dwaraknath; Alex M. Ganose; Ryan S. Kingsbury; Mingjian Wen; Jimmy X. Shen; Tyler S. Mathis; Aaron D. Kaplan; Karlo Berket; Janosh Riebesell; Janine George; Andrew S. Rosen; Evan W. C. Spotte-Smith; Matthew J. McDermott; Orion A. Cohen; Alex Dunn; Matthew C. Kuner; Gian-Marco Rignanese; Guido Petretto; David Waroquiers; Sinead M. Griffin; Jeffrey B. Neaton; Daryl C. Chrzan; Mark Asta; Geoffroy Hautier; Shreyas Cholia; Gerbrand Ceder; Shyue Ping Ong; Anubhav Jain; Kristin A. Persson
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HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH ConditionsHEPOM：利用图神经网络加速预测不同pH条件下的水解自由能
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-04-04
err0
errOAAI
errGuha, Rishabh D.; Vargas, Santiago; Spotte-Smith, Evan Walter Clark; Epstein, Alexander Rizzolo; Venetos, Maxwell; Blau, Samuel M.
err分享
err收藏
Solubilities of Ethylene and Carbon Dioxide Gases in Lithium-Ion Battery Electrolyte乙烯和二氧化碳气体在锂离子电池电解液中的溶解度
errJOURNAL OF CHEMICAL AND ENGINEERING DATA
IF2.1
err2024-05-21
err0
errOAAI
errSoto, Mel; Fink, Kae; Zweifel, Christof; Weddle, Peter J.; Spotte-Smith, Evan Walter Clark; Veith, Gabriel M.; Persson, Kristin A.; Colclasure, Andrew M.; Tremolet de Villers, Bertrand J.
err分享
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Design Principles and Routes for Calcium Alkoxyaluminate Electrolytes烷氧基铝酸钙电解质的设计原则和路线
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2024-05-06
err2
PREAI
errLeon, Noel J.; Ilic, Stefan; Xie, Xiaowei; Jeong, Heonjae; Yang, Zhenzhen; Wang, Bingning; Spotte-Smith, Evan Walter Clark; Stern, Charlotte; Hahn, Nathan; Zavadil, Kevin; Cheng, Lei; Persson, Kristin A.; Connell, Justin G.; Liao, Chen
err分享
err收藏
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries锂离子电池中化学和电化学氧化机理的批判性分析
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2024-01-04
err3
errOAAI
errSpotte-Smith, Evan Walter Clark; Vijay, Sudarshan; Petrocelli, Thea Bee; Rinkel, Bernardine L. D.; Mccloskey, Bryan D.; Persson, Kristin A.
err分享
err收藏
CoeffNet: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err1
errOAAI
errVijay, Sudarshan; Venetos, Maxwell C.; Spotte-Smith, Evan Walter Clark; Kaplan, Aaron D.; Wen, Mingjian; Persson, Kristin A.
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err收藏
Continuum-level modeling of Li-ion battery SEI by upscaling atomistically informed reaction mechanisms通过放大原子信息反应机制对锂离子电池SEI进行连续级建模
errELECTROCHIMICA ACTA
IF5.6
err2023-11-01
err2
PREAI
errWeddle, Peter J.; Spotte-Smith, Evan Walter Clark; Verma, Ankit; Patel, Hetal D.; Fink, Kae; de Villers, Bertrand J. Tremolet; Schulze, Maxwell C.; Blau, Samuel M.; Smith, Kandler A.; Persson, Kristin A.; Colclasure, Andrew M.
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err收藏
Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries化学反应网络解释了镁离子电池中的气体演化机理
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-05-26
err14
errOAAI
errSpotte-Smith, Evan Walter Clark; Blau, Samuel M.; Barter, Daniel; Leon, Noel J.; Hahn, Nathan T.; Redkar, Nikita S.; Zavadil, Kevin R.; Liao, Chen; Persson, Kristin A.
err分享
err收藏
Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-17
err4
PREAI
errEpstein, Alexander Rizzolo; Spotte-Smith, Evan Walter Clark; Venetos, Maxwell C. C.; Andriuc, Oxana; Persson, Kristin Aslaug
err分享
err收藏
Chemical reaction networks and opportunities for machine learning化学反应网络和机器学习的机会
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-01-16
err42
PREAI
errWen, Mingjian; Spotte-Smith, Evan Walter Clark; Blau, Samuel M.; McDermott, Matthew J.; Krishnapriyan, Aditi S.; Persson, Kristin A.
err分享
err收藏
Predictive stochastic analysis of massive filter-based electrochemical reaction networks基于大规模滤波器的电化学反应网络的预测随机分析
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err11
errOAAI
errBarter, Daniel; Clark Spotte-Smith, Evan Walter; Redkar, Nikita S.; Khanwale, Aniruddh; Dwaraknath, Shyam; Persson, Kristin A.; Blau, Samuel M.
err分享
err收藏
A database of molecular properties integrated in the Materials Project材料项目中集成的分子特性数据库
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err7
errOAAI
errSpotte-Smith, Evan Walter Clark; Cohen, Orion Archer; Blau, Samuel M.; Munro, Jason M.; Yang, Ruoxi; Guha, Rishabh D.; Patel, Hetal D.; Vijay, Sudarshan; Huck, Patrick; Kingsbury, Ryan; Horton, Matthew K.; Persson, Kristin A.
err分享
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Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases六氟磷酸锂在电池电解质和界面中的基本分解机理
errACS ENERGY LETTERS
IF18.2
err2022-12-05
err51
errOAAI
errSpotte-Smith, Evan Walter Clark; Petrocelli, Thea Bee; Patel, Hetal D.; Blau, Samuel M.; Persson, Kristin A.
err分享
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Reductive Decomposition Kinetics and Thermodynamics That Govern the Design of Fluorinated Alkoxyaluminate/Borate Salts for Mg-Ion and Ca-Ion Batteries
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-11-30
err8
errOAAI
errXie, Xiaowei; Leon, Noel J.; Small, David W.; Spotte-Smith, Evan Walter Clark; Liao, Chen; Persson, Kristin A.
err分享
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Toward a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries迈向锂离子电池中固体电解质相间形成和演化的机理模型
errACS ENERGY LETTERS
IF18.2
err2022-03-22
err68
errOAAI
errSpotte-Smith, Evan Walter Clark; Kam, Ronald L.; Barter, Daniel; Xie, Xiaowei; Hou, Tingzheng; Dwaraknath, Shyam; Blau, Samuel M.; Persson, Kristin A.
err分享
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Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions利用分子动力学和加速化学反应洞察锂离子电池中的SEI增长
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-08-19
err37
errOAAI
errAlzate-Vargas, Lorena; Blau, Samuel M.; Spotte-Smith, Evan Walter Clark; Allu, Srikanth; Persson, Kristin A.; Fattebert, Jean-Luc
err分享
err收藏
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network用自动反应网络预测乙烯一碳酸锂的形成机理
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-08-11
err37
errOAAI
errXie, Xiaowei; Spotte-Smith, Evan Walter Clark; Wen, Mingjian; Patel, Hetal D.; Blau, Samuel M.; Persson, Kristin A.
err分享
err收藏
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species锂离子电池电解质和相间物种的量子化学计算
errSCIENTIFIC DATA
IF6.9
err2021-08-05
err25
errOAAI
errSpotte-Smith, Evan Walter Clark; Blau, Samuel M.; Xie, Xiaowei; Patel, Hetal D.; Wen, Mingjian; Wood, Brandon; Dwaraknath, Shyam; Persson, Kristin Aslaug
err分享
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研究方向

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