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Computational Materials Science
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March 14, 2020
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations
Kamal Choudhary, Francesca Tavazza
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 2, 2023
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX<sub>3</sub> (X = I, Br, Cl, F)
Daniel Wines, Kamal Choudhary, Francesca Tavazza
ACS Omega
|
December 13, 2021
Uncertainty Prediction for Machine Learning Models of Material Properties
Francesca Tavazza, Brian DeCost, Kamal Choudhary
Physical Review Materials
|
March 14, 2020
Machine learning with force-field inspired descriptors for materials: fast screening and mapping energy landscape
Kamal Choudhary, Brian DeCost, Francesca Tavazza
Scientific Reports
|
June 14, 2019
High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage
Kamal Choudhary, Kevin F Garrity, Francesca Tavazza
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 27, 2020
Data-driven discovery of 3D and 2D thermoelectric materials
Kamal Choudhary, Kevin F Garrity, Francesca Tavazza
Scientific Reports
|
July 14, 2017
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
Kamal Choudhary, Irina Kalish, Ryan Beams, et al.
Physical Review. B
|
March 14, 2020
Elastic properties of bulk and low-dimensional materials using Van der Waals density functional
Kamal Choudhary, Gowoon Cheon, Evan Reed, et al.
Nano Letters
|
January 30, 2023
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors
Daniel Wines, Kamal Choudhary, Adam J Biacchi, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 14, 2020
Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods
Kamal Choudhary, Marnik Bercx, Jie Jiang, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Computational Materials Science
|
March 14, 2020
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations
Kamal Choudhary, Francesca Tavazza
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 2, 2023
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX<sub>3</sub> (X = I, Br, Cl, F)
Daniel Wines, Kamal Choudhary, Francesca Tavazza
ACS Omega
|
December 13, 2021
Uncertainty Prediction for Machine Learning Models of Material Properties
Francesca Tavazza, Brian DeCost, Kamal Choudhary
Physical Review Materials
|
March 14, 2020
Machine learning with force-field inspired descriptors for materials: fast screening and mapping energy landscape
Kamal Choudhary, Brian DeCost, Francesca Tavazza
Scientific Reports
|
June 14, 2019
High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage
Kamal Choudhary, Kevin F Garrity, Francesca Tavazza
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 27, 2020
Data-driven discovery of 3D and 2D thermoelectric materials
Kamal Choudhary, Kevin F Garrity, Francesca Tavazza
Scientific Reports
|
July 14, 2017
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
Kamal Choudhary, Irina Kalish, Ryan Beams, et al.
Physical Review. B
|
March 14, 2020
Elastic properties of bulk and low-dimensional materials using Van der Waals density functional
Kamal Choudhary, Gowoon Cheon, Evan Reed, et al.
Nano Letters
|
January 30, 2023
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors
Daniel Wines, Kamal Choudhary, Adam J Biacchi, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
March 14, 2020
Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods
Kamal Choudhary, Marnik Bercx, Jie Jiang, et al.
Page
of 4