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Shyam Dwaraknath
Shyam Dwaraknath
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On the use of SRIM for computing radiation damage exposure
RE Stoller, MB Toloczko, GS Was, AG Certain, S Dwaraknath, FA Garner
Nuclear instruments and methods in physics research section B: beam …, 2013
14712013
Accelerating the discovery of materials for clean energy in the era of smart automation
DP Tabor, LM Roch, SK Saikin, C Kreisbeck, D Sheberla, JH Montoya, ...
Nature reviews materials 3 (5), 5-20, 2018
6782018
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ...
Computational Materials Science 139, 140-152, 2017
3302017
Thermodynamic limit for synthesis of metastable inorganic materials
M Aykol, SS Dwaraknath, W Sun, KA Persson
Science advances 4 (4), eaaq0148, 2018
3092018
High-throughput density-functional perturbation theory phonons for inorganic materials
G Petretto, S Dwaraknath, H PC Miranda, D Winston, M Giantomassi, ...
Scientific data 5 (1), 1-12, 2018
1762018
Computational approach for epitaxial polymorph stabilization through substrate selection
H Ding, SS Dwaraknath, L Garten, P Ndione, D Ginley, KA Persson
ACS applied materials & interfaces 8 (20), 13086-13093, 2016
1082016
A framework for quantifying uncertainty in DFT energy corrections
A Wang, R Kingsbury, M McDermott, M Horton, A Jain, SP Ong, ...
Scientific reports 11 (1), 15496, 2021
972021
The existence and impact of persistent ferroelectric domains in MAPbI3
LM Garten, DT Moore, SU Nanayakkara, S Dwaraknath, P Schulz, ...
Science advances 5 (1), eaas9311, 2019
912019
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
882021
A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis
MJ McDermott, SS Dwaraknath, KA Persson
Nature communications 12 (1), 3097, 2021
732021
Assessing high-throughput descriptors for prediction of transparent conductors
R Woods-Robinson, D Broberg, A Faghaninia, A Jain, SS Dwaraknath, ...
Chemistry of Materials 30 (22), 8375-8389, 2018
712018
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
702021
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
682022
Multiple ion beam irradiation for the study of radiation damage in materials
S Taller, D Woodley, E Getto, AM Monterrosa, Z Jiao, O Toader, F Naab, ...
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2017
632017
Performance comparison of and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow
R Kingsbury, AS Gupta, CJ Bartel, JM Munro, S Dwaraknath, M Horton, ...
Physical Review Materials 6 (1), 013801, 2022
572022
Propnet: a knowledge graph for materials science
D Mrdjenovich, MK Horton, JH Montoya, CM Legaspi, S Dwaraknath, ...
Matter 2 (2), 464-480, 2020
542020
The materials project: Accelerating materials design through theory-driven data and tools
A Jain, J Montoya, S Dwaraknath, NER Zimmermann, J Dagdelen, ...
Handbook of Materials Modeling: Methods: Theory and Modeling, 1751-1784, 2020
542020
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
522021
An improved symmetry-based approach to reciprocal space path selection in band structure calculations
JM Munro, K Latimer, MK Horton, S Dwaraknath, KA Persson
npj Computational Materials 6 (1), 112, 2020
512020
Rapid generation of optimal generalized Monkhorst-Pack grids
Y Wang, P Wisesa, A Balasubramanian, S Dwaraknath, T Mueller
Computational Materials Science 187, 110100, 2021
452021
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