| 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 | 22 | 2021 |
| 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 | 22 | 2021 |
| 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 | 13 | 2021 |
| 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), 1-15, 2021 | 8 | 2021 |
| 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 | 6 | 2021 |
| 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 | 4 | 2020 |
| 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 | 3 | 2020 |
| 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 | 3 | 2020 |
| Predictive stochastic analysis of massive filter-based electrochemical reaction networks D Barter, EWC Spotte-Smith, NS Redkar, A Khanwale, S Dwaraknath, ... | 2 | 2022 |
| 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 (4), 1-6, 2019 | 2 | 2019 |
| 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 | 1 | 2022 |
| GPS for the SEI: Charting Electrochemical Mechanisms with Reaction Networks EWC Spotte-Smith, SM Blau, KA Persson ECS Meeting Abstracts, 518, 2022 | | 2022 |
| Towards a Mechanistic Explanation for Solid Electrolyte Interphase Formation in Lithium-Ion Batteries EWC Spotte-Smith, RL Kam, D Barter, J Self, X Xie, T Hou, S Dwaraknath, ... ECS Meeting Abstracts, 2268, 2022 | | 2022 |
| Template-Free Reaction Networks Enable Predictive and Automated Analysis of Complex Electrochemical Reaction Cascades S Blau, D Barter, E Spotte-Smith Bulletin of the American Physical Society, 2022 | | 2022 |
| Probing Stabilities of Weakly Coordinating Anions for Multivalent Electrolytes NJ Leon, X Xie, EWC Spotte-Smith, NT Hahn, KR Zavadil, KA Persson 240th ECS Meeting (October 10-14, 2021), 2021 | | 2021 |
| Unbiased Identification of Optimal Chemical Pathways in Electrochemical Reaction Cascades SM Blau, S Dwaraknath, EWC Spotte-Smith, KA Persson ECS Meeting Abstracts, 2714, 2020 | | 2020 |
| A Robust Computational Framework for High-Throughput Density Functional Theory Calculations for Electrochemical Applications EWC Spotte-Smith, SM Blau, B Wood, S Dwaraknath, KA Persson ECS Meeting Abstracts, 3517, 2020 | | 2020 |
| Time-Resolved and Space-Resolved Study of Iron Oxide Nanoparticle Self-Assembly on Liquid Surfaces by Using In-Situ Small Angle X-Ray Scattering J Hu, B Pan, E Spotte-Smith, N Huo, I Herman APS March Meeting Abstracts 2018, K17. 004, 2018 | | 2018 |
| Supporting Information: Exploring the Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network and Density Functional Theory X Xie, EWC Spotte-Smith, HD Patel, SM Blau, KA Persson | | |
Samuel M. BlauResearch Scientist, Lawrence Berkeley National LabVerified email at lbl.gov
