Articles avec mandats d'accès public - Boris KozinskyEn savoir plus
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3D spatiotemporally scalable in vivo neural probes based on fluorinated elastomers
P Le Floch, S Zhao, R Liu, N Molinari, E Medina, H Shen, Z Wang, J Kim, ...
Nature nanotechnology 19 (3), 319-329, 2024
Exigences : US National Science Foundation
Disponibles quelque part : 60
E (3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
S Batzner, A Musaelian, L Sun, M Geiger, JP Mailoa, M Kornbluth, ...
Nature communications 13 (1), 2453, 2022
Exigences : US National Science Foundation, US Department of Energy, US Department of …
AiiDA: automated interactive infrastructure and database for computational science
G Pizzi, A Cepellotti, R Sabatini, N Marzari, B Kozinsky
Computational Materials Science 111, 218-230, 2016
Exigences : US Department of Energy
Learning local equivariant representations for large-scale atomistic dynamics
A Musaelian, S Batzner, A Johansson, L Sun, CJ Owen, M Kornbluth, ...
Nature Communications 14 (1), 579, 2023
Exigences : US National Science Foundation, US Department of Energy
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
J Vandermause, SB Torrisi, S Batzner, Y Xie, L Sun, AM Kolpak, ...
npj Computational Materials 6 (1), 20, 2020
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : Fonds national suisse, European Commission
NbFeSb-based p-type half-Heuslers for power generation applications
G Joshi, R He, M Engber, G Samsonidze, T Pantha, E Dahal, K Dahal, ...
Energy & Environmental Science 7 (12), 4070-4076, 2014
Exigences : US Department of Energy
Electron–phonon interactions and the intrinsic electrical resistivity of graphene
CH Park, N Bonini, T Sohier, G Samsonidze, B Kozinsky, M Calandra, ...
Nano letters 14 (3), 1113-1119, 2014
Exigences : Fonds national suisse
The design space of e (3)-equivariant atom-centered interatomic potentials
I Batatia, S Batzner, DP Kovács, A Musaelian, GNC Simm, R Drautz, ...
arXiv preprint arXiv:2205.06643, 2022
Exigences : US National Science Foundation, US Department of Energy, Conseil de …
Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture
CW Park, M Kornbluth, J Vandermause, C Wolverton, B Kozinsky, ...
npj Computational Materials 7 (1), 73, 2021
Exigences : US Department of Energy
Accelerated screening of thermoelectric materials by first‐principles computations of electron–phonon scattering
G Samsonidze, B Kozinsky
Advanced Energy Materials 8 (20), 1800246, 2018
Exigences : US Department of Energy
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt
J Vandermause, Y Xie, JS Lim, CJ Owen, B Kozinsky
Nature Communications 13 (1), 5183, 2022
Exigences : US National Science Foundation, US Department of Energy
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
Exigences : US National Science Foundation, US Department of Energy, Fonds national …
Dilute alloys based on Au, Ag, or Cu for efficient catalysis: from synthesis to active sites
JD Lee, JB Miller, AV Shneidman, L Sun, JF Weaver, J Aizenberg, ...
Chemical reviews 122 (9), 8758-8808, 2022
Exigences : US Department of Energy
Enhanced thermoelectric properties of n-type NbCoSn half-Heusler by improving phase purity
R He, L Huang, Y Wang, G Samsonidze, B Kozinsky, Q Zhang, Z Ren
Apl Materials 4 (10), 2016
Exigences : US Department of Energy, National Natural Science Foundation of China
Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes
B Kozinsky, SA Akhade, P Hirel, A Hashibon, C Elsässer, P Mehta, ...
Physical Review Letters 116 (5), 055901, 2016
Exigences : US Department of Energy, Fraunhofer-Gesellschaft
Evolution of metastable structures at bimetallic surfaces from microscopy and machine-learning molecular dynamics
JS Lim, J Vandermause, MA Van Spronsen, A Musaelian, Y Xie, L Sun, ...
Journal of the American Chemical Society 142 (37), 15907-15916, 2020
Exigences : US National Science Foundation, US Department of Energy
High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability
R Armiento, B Kozinsky, G Hautier, M Fornari, G Ceder
Physical Review B 89 (13), 134103, 2014
Exigences : Fonds de la Recherche Scientifique, Swedish Research Council
Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene
Y Xie, J Vandermause, L Sun, A Cepellotti, B Kozinsky
npj Computational Materials 7 (1), 40, 2021
Exigences : US National Science Foundation, US Department of Energy
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems
JP Mailoa, M Kornbluth, S Batzner, G Samsonidze, ST Lam, ...
Nature machine intelligence 1 (10), 471-479, 2019
Exigences : US Department of Energy
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