Kamal Choudhary
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Recent advances and applications of deep learning methods in materials science
K Choudhary, B DeCost, C Chen, A Jain, F Tavazza, R Cohn, CW Park, ...
npj Computational Materials 8 (1), 59, 2022
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
K Choudhary, KF Garrity, ACE Reid, B DeCost, AJ Biacchi, ...
npj computational materials 6 (1), 173, 2020
Atomistic line graph neural network for improved materials property predictions
K Choudhary, B DeCost
npj Computational Materials 7 (1), 185, 2021
Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning
D Jha, K Choudhary, F Tavazza, W Liao, A Choudhary, C Campbell, ...
Nature communications 10 (1), 5316, 2019
High-throughput identification and characterization of two-dimensional materials using density functional theory
K Choudhary, I Kalish, R Beams, F Tavazza
Scientific reports 7 (1), 5179, 2017
Characterization of Few-Layer 1T′ MoTe2 by Polarization-Resolved Second Harmonic Generation and Raman Scattering
R Beams, LG Cançado, S Krylyuk, I Kalish, B Kalanyan, AK Singh, ...
ACS nano 10 (10), 9626-9636, 2016
Machine learning with force-field-inspired descriptors for materials: Fast screening and mapping energy landscape
K Choudhary, B DeCost, F Tavazza
Physical review materials 2 (8), 083801, 2018
Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics
RK Vasudevan, K Choudhary, A Mehta, R Smith, G Kusne, F Tavazza, ...
MRS communications 9 (3), 821-838, 2019
MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems
K Mathew, AK Singh, JJ Gabriel, K Choudhary, SB Sinnott, AV Davydov, ...
Computational Materials Science 122, 183-190, 2016
Elastic properties of bulk and low-dimensional materials using van der Waals density functional
K Choudhary, G Cheon, E Reed, F Tavazza
Physical Review B 98 (1), 014107, 2018
Accelerated discovery of efficient solar cell materials using quantum and machine-learning methods
K Choudhary, M Bercx, J Jiang, R Pachter, D Lamoen, F Tavazza
Chemistry of materials 31 (15), 5900-5908, 2019
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations
K Choudhary, F Tavazza
Computational materials science 161, 300-308, 2019
Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
K Choudhary, Q Zhang, ACE Reid, S Chowdhury, N Van Nguyen, Z Trautt, ...
Scientific data 5 (1), 1-12, 2018
Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data
V Gupta, K Choudhary, F Tavazza, C Campbell, W Liao, A Choudhary, ...
Nature communications 12 (1), 6595, 2021
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses
K Choudhary, KF Garrity, V Sharma, AJ Biacchi, AR Hight Walker, ...
npj computational materials 6 (1), 64, 2020
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ...
Digital Discovery 2 (5), 1233-1250, 2023
Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures
K Choudhary, T Liang, A Chernatynskiy, SR Phillpot, SB Sinnott
Journal of Physics: Condensed Matter 27 (30), 305004, 2015
Data-driven discovery of 3D and 2D thermoelectric materials
K Choudhary, KF Garrity, F Tavazza
Journal of Physics: Condensed Matter 32 (47), 475501, 2020
Computational discovery of inorganic electrides from an automated screening
Q Zhu, T Frolov, K Choudhary
Matter 1 (5), 1293-1303, 2019
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Artigos 1–20