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Materials Futures|June 6, 2024
Data-driven Design of High Pressure Hydride Superconductors using DFT and Deep LearningDaniel Wines, Kamal ChoudharyThe Journal of Physical Chemistry Letters|July 18, 2023
Inverse Design of Next-Generation Superconductors Using Data-Driven Deep Generative ModelsDaniel Wines, Tian Xie, Kamal ChoudharyThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 2, 2023
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)Daniel Wines, Kamal Choudhary, Francesca TavazzaNano Letters|January 30, 2023
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) SuperconductorsDaniel Wines, Kamal Choudhary, Adam J Biacchi, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|July 5, 2021
Quantum computation for predicting electron and phonon properties of solidsKamal ChoudharyThe Journal of Physical Chemistry Letters|October 17, 2025
SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic TableKamal ChoudharyThe Journal of Physical Chemistry Letters|July 1, 2025
MicroscopyGPT: Generating Atomic-Structure Captions from Microscopy Images of 2D Materials with Vision-Language TransformersKamal ChoudharyThe Journal of Physical Chemistry Letters|June 27, 2024
AtomGPT: Atomistic Generative Pretrained Transformer for Forward and Inverse Materials DesignKamal ChoudharyThe Journal of Physical Chemistry Letters|February 20, 2025
DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns Using a Generative Pretrained TransformerKamal ChoudharyComputational Materials Science|March 14, 2020
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculationsKamal Choudhary, Francesca TavazzaPageof 7