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Evan Walter Clark Spotte-Smith
Evan Walter Clark Spotte-Smith
Other namesEvan Spotte-Smith, Evan W.C. Spotte-Smith, E.W.C. Spotte-Smith
Verified email at cmu.edu - Homepage
Title
Cited by
Cited by
Year
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules
M Wen, SM Blau, EWC Spotte-Smith, S Dwaraknath, KA Persson
Chemical science 12 (5), 1858-1868, 2021
712021
Toward a mechanistic model of solid–electrolyte interphase formation and evolution in lithium-ion batteries
EWC Spotte-Smith, RL Kam, D Barter, X Xie, T Hou, S Dwaraknath, ...
ACS Energy Letters 7 (4), 1446-1453, 2022
652022
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation
SM Blau, HD Patel, EWC Spotte-Smith, X Xie, S Dwaraknath, KA Persson
Chemical science 12 (13), 4931-4939, 2021
492021
Data-driven prediction of formation mechanisms of lithium ethylene monocarbonate with an automated reaction network
X Xie, EW Clark Spotte-Smith, M Wen, HD Patel, SM Blau, KA Persson
Journal of the American Chemical Society 143 (33), 13245-13258, 2021
442021
Chemical reaction networks and opportunities for machine learning
M Wen, EWC Spotte-Smith, SM Blau, MJ McDermott, AS Krishnapriyan, ...
Nature Computational Science 3 (1), 12-24, 2023
422023
Elementary decomposition mechanisms of lithium hexafluorophosphate in battery electrolytes and interphases
EWC Spotte-Smith, TB Petrocelli, HD Patel, SM Blau, KA Persson
ACS Energy Letters 8 (1), 347-355, 2022
352022
Insight into SEI growth in Li-ion batteries using molecular dynamics and accelerated chemical reactions
L Alzate-Vargas, SM Blau, EWC Spotte-Smith, S Allu, KA Persson, ...
The Journal of Physical Chemistry C 125 (34), 18588-18596, 2021
302021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
EWC Spotte-Smith, SM Blau, X Xie, HD Patel, M Wen, B Wood, ...
Scientific Data 8 (1), 203, 2021
282021
Predictive stochastic analysis of massive filter-based electrochemical reaction networks
D Barter, EWC Spotte-Smith, NS Redkar, A Khanwale, S Dwaraknath, ...
Digital Discovery 2 (1), 123-137, 2023
162023
Chemical reaction networks explain gas evolution mechanisms in mg-ion batteries
EWC Spotte-Smith, SM Blau, D Barter, NJ Leon, NT Hahn, NS Redkar, ...
Journal of the American Chemical Society 145 (22), 12181-12192, 2023
142023
Accurate, automated density functional theory for complex molecules using on-the-fly error correction
S Blau, EWC Spotte-Smith, B Wood, S Dwaraknath, K Persson
72020
Reductive Decomposition Kinetics and Thermodynamics That Govern the Design of Fluorinated Alkoxyaluminate/Borate Salts for Mg-Ion and Ca-Ion Batteries
X Xie, NJ Leon, DW Small, EWC Spotte-Smith, C Liao, KA Persson
The Journal of Physical Chemistry C 126 (49), 20773-20785, 2022
62022
Spatiotemporal Study of Iron Oxide Nanoparticle Monolayer Formation at Liquid/Liquid Interfaces by Using In Situ Small-Angle X-ray Scattering
J Hu, EWC Spotte-Smith, B Pan, RJ Garcia, C Colosqui, IP Herman
The Journal of Physical Chemistry C 124 (43), 23949-23963, 2020
62020
Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory
EWC Spotte‐Smith, P Yu, SM Blau, RS Prasher, A Jain
Journal of computational chemistry 41 (24), 2137-2150, 2020
52020
A database of molecular properties integrated in the Materials Project
EWC Spotte-Smith, OA Cohen, SM Blau, JM Munro, R Yang, RD Guha, ...
Digital Discovery 2 (6), 1862-1882, 2023
42023
A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries
EWC Spotte-Smith, S Vijay, TB Petrocelli, BLD Rinkel, BD McCloskey, ...
The Journal of Physical Chemistry Letters 15 (2), 391-400, 2024
32024
Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics
AR Epstein, EWC Spotte-Smith, MC Venetos, O Andriuc, KA Persson
Journal of Chemical Theory and Computation 19 (11), 3159-3171, 2023
32023
Improved small-angle x-ray scattering of nanoparticle self-assembly using a cell with a flat liquid surface
J Hu, EWC Spotte-Smith, B Pan, IP Herman
Journal of Nanoparticle Research 21, 1-6, 2019
22019
Design Principles and Routes for Calcium Alkoxyaluminate Electrolytes
NJ Leon, S Ilic, X Xie, H Jeong, Z Yang, B Wang, EWC Spotte-Smith, ...
The Journal of Physical Chemistry Letters 15, 5096-5102, 2024
12024
Continuum-level modeling of Li-ion battery SEI by upscaling atomistically informed reaction mechanisms
PJ Weddle, EWC Spotte-Smith, A Verma, HD Patel, K Fink, BJT de Villers, ...
Electrochimica Acta 468, 143121, 2023
12023
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