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Boris Kozinsky
Boris Kozinsky
Harvard University, Bosch Research
Bestätigte E-Mail-Adresse bei seas.harvard.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
14002022
A critical review of Li/air batteries
J Christensen, P Albertus, RS Sanchez-Carrera, T Lohmann, B Kozinsky, ...
Journal of the Electrochemical Society 159 (2), R1, 2011
13372011
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
6532016
Role of disorder and anharmonicity in the thermal conductivity of silicon-germanium alloys: A first-principles study
J Garg, N Bonini, B Kozinsky, N Marzari
Physical review letters 106 (4), 045901, 2011
5772011
Secular Evolution of Hierarchical Triple StarSystems
EB Ford, B Kozinsky, FA Rasio
The Astrophysical Journal 535 (1), 385, 2000
5302000
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
4732023
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
3632020
Identifying capacity limitations in the Li/oxygen battery using experiments and modeling
P Albertus, G Girishkumar, B McCloskey, RS Sánchez-Carrera, ...
Journal of The Electrochemical Society 158 (3), A343, 2011
3532011
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
G Pizzi, D Volja, B Kozinsky, M Fornari, N Marzari
Computer Physics Communications 185 (1), 422-429, 2014
3292014
Static dielectric properties of carbon nanotubes from first principles
B Kozinsky, N Marzari
Physical review letters 96 (16), 166801, 2006
2962006
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
2932020
Effect of salt concentration on ion clustering and transport in polymer solid electrolytes: a molecular dynamics study of PEO–LiTFSI
N Molinari, JP Mailoa, B Kozinsky
Chemistry of Materials 30 (18), 6298-6306, 2018
2592018
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
2362014
From order to disorder: The structure of lithium-conducting garnets Li7− xLa3TaxZr2− xO12 (x= 0–2)
A Logéat, T Köhler, U Eisele, B Stiaszny, A Harzer, M Tovar, A Senyshyn, ...
Solid State Ionics 206, 33-38, 2012
2182012
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
2122014
Electrostatics in periodic boundary conditions and real-space corrections
I Dabo, B Kozinsky, NE Singh-Miller, N Marzari
Physical Review B—Condensed Matter and Materials Physics 77 (11), 115139, 2008
1782008
Screening for high-performance piezoelectrics using high-throughput density functional theory
R Armiento, B Kozinsky, M Fornari, G Ceder
Physical Review B—Condensed Matter and Materials Physics 84 (1), 014103, 2011
1732011
Atomistic description of ionic diffusion in PEO–LiTFSI: Effect of temperature, molecular weight, and ionic concentration
DJ Brooks, BV Merinov, WA Goddard III, B Kozinsky, J Mailoa
Macromolecules 51 (21), 8987-8995, 2018
1632018
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
1442022
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
140*2021
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