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E

Evan Walter Clark Spotte‐Smith

Carnegie Mellon University

15H-index
89Paper Count
1.2KCitation Count
Published Papers 24
Publication Date
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Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs
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
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Considering the ethics of large machine learning models in the chemical sciences
errmachine learning science and technology
IF0
err2025-07-17
err0
PREAI
errEvan Walter Clark Spotte-Smith
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Accelerated data-driven materials science with the Materials Project
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 Conditions
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.
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Solubilities of Ethylene and Carbon Dioxide Gases in Lithium-Ion Battery Electrolyte
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.
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Design Principles and Routes for Calcium Alkoxyaluminate Electrolytes
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
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A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries
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.
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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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Continuum-level modeling of Li-ion battery SEI by upscaling atomistically informed reaction mechanisms
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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Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries
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.
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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
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Chemical reaction networks and opportunities for machine learning
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.
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Predictive stochastic analysis of massive filter-based electrochemical reaction networks
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.
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A database of molecular properties integrated in the Materials Project
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.
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Elementary Decomposition Mechanisms of Lithium Hexafluorophosphate in Battery Electrolytes and Interphases
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.
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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.
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Toward a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-Ion Batteries
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.
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Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions
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
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Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network
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.
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errSave
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
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
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Gerbrand Ceder
H-index: 166 · Papers: 1.1K
K
Kristin A. Persson
H-index: 111 · Papers: 723
J
Jeffrey B. Neaton
H-index: 97 · Papers: 744
M
Mark Asta
H-index: 93 · Papers: 582
S
Shyue Ping Ong
H-index: 88 · Papers: 491
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