Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory

por Garrity, Kevin F., Choudhary, Kamal
Publicado 2021

High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage

por Choudhary, Kamal, Garrity, Kevin F., Tavazza, Francesca
Publicado 2019

Uncertainty Prediction for Machine Learning Models of Material Properties

por Tavazza, Francesca, DeCost, Brian, Choudhary, Kamal
Publicado 2021

High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory

por Choudhary, Kamal, Kalish, Irina, Beams, Ryan, Tavazza, Francesca
Publicado 2017

Density functional theory-based electric field gradient database

por Choudhary, Kamal, Ansari, Jaafar N., Mazin, Igor I., Sauer, Karen L.
Publicado 2020

Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

por Wang, Fancy Qian, Choudhary, Kamal, Liu, Yu, Hu, Jianjun, Hu, Ming
Publicado 2022

The Neurophysiology of Language Processing Shapes the Evolution of Grammar: Evidence from Case Marking

por Bickel, Balthasar, Witzlack-Makarevich, Alena, Choudhary, Kamal K., Schlesewsky, Matthias, Bornkessel-Schlesewsky, Ina
Publicado 2015

Exploiting redundancy in large materials datasets for efficient machine learning with less data

por Li, Kangming, Persaud, Daniel, Choudhary, Kamal, DeCost, Brian, Greenwood, Michael, Hattrick-Simpers, Jason
Publicado 2023

Predicting Lattice Vibrational Frequencies Using Deep Graph Neural Networks

por Nguyen, Nghia, Louis, Steph-Yves V., Wei, Lai, Choudhary, Kamal, Hu, Ming, Hu, Jianjun
Publicado 2022

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

por Choudhary, Kamal, Congo, Faical Yannick P., Liang, Tao, Becker, Chandler, Hennig, Richard G., Tavazza, Francesca
Publicado 2017

Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning

por Jha, Dipendra, Choudhary, Kamal, Tavazza, Francesca, Liao, Wei-keng, Choudhary, Alok, Campbell, Carelyn, Agrawal, Ankit
Publicado 2019

Author Correction: Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning

por Jha, Dipendra, Choudhary, Kamal, Tavazza, Francesca, Liao, Wei-keng, Choudhary, Alok, Campbell, Carelyn, Agrawal, Ankit
Publicado 2020

Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data

por Gupta, Vishu, Choudhary, Kamal, Tavazza, Francesca, Campbell, Carelyn, Liao, Wei-keng, Choudhary, Alok, Agrawal, Ankit
Publicado 2021

Computational scanning tunneling microscope image database

por Choudhary, Kamal, Garrity, Kevin F., Camp, Charles, Kalinin, Sergei V., Vasudevan, Rama, Ziatdinov, Maxim, Tavazza, Francesca
Publicado 2021

MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction

por Gupta, Vishu, Choudhary, Kamal, Mao, Yuwei, Wang, Kewei, Tavazza, Francesca, Campbell, Carelyn, Liao, Wei-keng, Choudhary, Alok, Agrawal, Ankit
Publicado 2023

Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms

por Choudhary, Kamal, Zhang, Qin, Reid, Andrew C.E., Chowdhury, Sugata, Van Nguyen, Nhan, Trautt, Zachary, Newrock, Marcus W., Congo, Faical Yannick, Tavazza, Francesca
Publicado 2018

Neural signatures of syntactic variation in speech planning

por Sauppe, Sebastian, Choudhary, Kamal K., Giroud, Nathalie, Blasi, Damián E., Norcliffe, Elisabeth, Bhattamishra, Shikha, Gulati, Mahima, Egurtzegi, Aitor, Bornkessel-Schlesewsky, Ina, Meyer, Martin, Bickel, Balthasar
Publicado 2021

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

por Jablonka, Kevin Maik, Ai, Qianxiang, Al-Feghali, Alexander, Badhwar, Shruti, Bocarsly, Joshua D., Bran, Andres M., Bringuier, Stefan, Brinson, L. Catherine, Choudhary, Kamal, Circi, Defne, Cox, Sam, de Jong, Wibe A., Evans, Matthew L., Gastellu, Nicolas, Genzling, Jerome, Gil, María Victoria, Gupta, Ankur K., Hong, Zhi, Imran, Alishba, Kruschwitz, Sabine, Labarre, Anne, Lála, Jakub, Liu, Tao, Ma, Steven, Majumdar, Sauradeep, Merz, Garrett W., Moitessier, Nicolas, Moubarak, Elias, Mouriño, Beatriz, Pelkie, Brenden, Pieler, Michael, Ramos, Mayk Caldas, Ranković, Bojana, Rodriques, Samuel G., Sanders, Jacob N., Schwaller, Philippe, Schwarting, Marcus, Shi, Jiale, Smit, Berend, Smith, Ben E., Van Herck, Joren, Völker, Christoph, Ward, Logan, Warren, Sean, Weiser, Benjamin, Zhang, Sylvester, Zhang, Xiaoqi, Zia, Ghezal Ahmad, Scourtas, Aristana, Schmidt, K. J., Foster, Ian, White, Andrew D., Blaiszik, Ben
Publicado 2023

OPTIMADE, an API for exchanging materials data

por Andersen, Casper W., Armiento, Rickard, Blokhin, Evgeny, Conduit, Gareth J., Dwaraknath, Shyam, Evans, Matthew L., Fekete, Ádám, Gopakumar, Abhijith, Gražulis, Saulius, Merkys, Andrius, Mohamed, Fawzi, Oses, Corey, Pizzi, Giovanni, Rignanese, Gian-Marco, Scheidgen, Markus, Talirz, Leopold, Toher, Cormac, Winston, Donald, Aversa, Rossella, Choudhary, Kamal, Colinet, Pauline, Curtarolo, Stefano, Di Stefano, Davide, Draxl, Claudia, Er, Suleyman, Esters, Marco, Fornari, Marco, Giantomassi, Matteo, Govoni, Marco, Hautier, Geoffroy, Hegde, Vinay, Horton, Matthew K., Huck, Patrick, Huhs, Georg, Hummelshøj, Jens, Kariryaa, Ankit, Kozinsky, Boris, Kumbhar, Snehal, Liu, Mohan, Marzari, Nicola, Morris, Andrew J., Mostofi, Arash A., Persson, Kristin A., Petretto, Guido, Purcell, Thomas, Ricci, Francesco, Rose, Frisco, Scheffler, Matthias, Speckhard, Daniel, Uhrin, Martin, Vaitkus, Antanas, Villars, Pierre, Waroquiers, David, Wolverton, Chris, Wu, Michael, Yang, Xiaoyu
Publicado 2021