Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks

por Krishnapriyan, Aditi S., Montoya, Joseph, Haranczyk, Maciej, Hummelshøj, Jens, Morozov, Dmitriy
Publicado 2021

Autonomous intelligent agents for accelerated materials discovery

por Montoya, Joseph H., Winther, Kirsten T., Flores, Raul A., Bligaard, Thomas, Hummelshøj, Jens S., Aykol, Muratahan
Publicado 2020

Network analysis of synthesizable materials discovery

por Aykol, Muratahan, Hegde, Vinay I., Hung, Linda, Suram, Santosh, Herring, Patrick, Wolverton, Chris, Hummelshøj, Jens S.
Publicado 2019

Agents for sequential learning using multiple-fidelity data

por Palizhati, Aini, Torrisi, Steven B., Aykol, Muratahan, Suram, Santosh K., Hummelshøj, Jens S., Montoya, Joseph H.
Publicado 2022

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