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Leonid Kahle
Leonid Kahle
Materials Design, Inc.
Bestätigte E-Mail-Adresse bei materialsdesign.com - Startseite
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Zitiert von
Jahr
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ...
Scientific data 7 (1), 300, 2020
2202020
High-throughput computational screening for solid-state Li-ion conductors
L Kahle, A Marcolongo, N Marzari
Energy & Environmental Science 13 (3), 928-948, 2020
1002020
Modeling lithium-ion solid-state electrolytes with a pinball model
L Kahle, A Marcolongo, N Marzari
Physical Review Materials 2 (6), 065405, 2018
392018
Unsupervised landmark analysis for jump detection in molecular dynamics simulations
L Kahle, A Musaelian, N Marzari, B Kozinsky
Physical Review Materials 3 (5), 055404, 2019
372019
Workflow Engineering in Materials Design within the BATTERY 2030+ Project
J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, ...
Advanced Energy Materials 12 (17), 2102638, 2022
322022
Quality of uncertainty estimates from neural network potential ensembles
L Kahle, F Zipoli
Physical Review E 105 (1), 015311, 2022
232022
Li4–xGe1–xPxO4, a Potential Solid-State Electrolyte for All-Oxide Microbatteries
E Gilardi, G Materzanini, L Kahle, M Dobeli, S Lacey, X Cheng, N Marzari, ...
ACS Applied Energy Materials 3 (10), 9910-9917, 2020
112020
High Li-ion conductivity in tetragonal LGPO: A comparative first-principles study against known LISICON and LGPS phases
G Materzanini, L Kahle, A Marcolongo, N Marzari
Physical Review Materials 5 (3), 035408, 2021
92021
The solid-state Li-ion conductor Li7TaO6: A combined computational and experimental study
L Kahle, X Cheng, T Binninger, SD Lacey, A Marcolongo, F Zipoli, ...
Solid State Ionics 347, 115226, 2020
72020
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. Sci Data 7: 300
SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ...
62020
Prediction of phase diagrams and associated phase structural properties
F Zipoli, V Viterbo, O Schilter, L Kahle, T Laino
Industrial & Engineering Chemistry Research 61 (24), 8378-8389, 2022
52022
Learning a reactive potential for silica-water through uncertainty attribution
S Roy, JP Dürholt, TS Asche, F Zipoli, R Gómez-Bombarelli
arXiv preprint arXiv:2307.01705, 2023
12023
Conductivity, elastic moduli and phase transitions in the Li10GeP2O12 solid-state electrolyte from first-principles molecular dynamics
G Materzanini, L Kahle, A Marcolongo, N Marzari
APS March Meeting Abstracts 2021, J56. 009, 2021
2021
Electrolytes for Li-ion all-solid-state batteries: a first-principles comparative study of Li10GeP2O12 and Li10GeP2S12 in the LISICON and LGPS phases
G Materzanini, L Kahle, A Marcolongo, N Marzari
arXiv preprint arXiv:2010.08068, 2020
2020
Comparison of Correlated Li+ Diffusion from Molecular Dynamics of Promising Solid Electrolytes
N Adelstein, VYZ Wei, Z Mehmedović, A Grieder, N Leclerc, A Musaelian, ...
Electrochemical Society Meeting Abstracts 236, 701-701, 2019
2019
Modeling, understanding, and screening fast lithium-ion conductors for solid-state electrolytes
L Kahle
EPFL, 2019
2019
Computational screening of experimental structural repositories for novel Li-ion conductors
L Kahle, A Marcolongo, N Marzari
APS March Meeting Abstracts 2019, K18. 007, 2019
2019
Fast screening of solid-state lithium-ion conductors
L Kahle, A Marcolongo, N Marzari
APS March Meeting Abstracts 2018, K12. 003, 2018
2018
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