Shyam S Dwaraknath (Shyam Dwaraknath)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 12

Top Topics

Density Functional Theory

Transition Metal

Top Venues

Scientific data

Science advances

Chemical science

Inorganic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam S Dwaraknath, Ádám Fekete, James Kermode, Christoph T Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian Marco Rignanese, Jörg J Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler
Shared metadata for data-centric materials science. Scientific data 10 (1) (2023)
Jimmy-Xuan Shen, Jason M Munro, Matthew K Horton, Patrick Huck, Shyam S Dwaraknath, Kristin A Persson
A representation-independent electronic charge density database for crystalline materials. Scientific data 9 (1) (2022)
Matthew J McDermott, Shyam S Dwaraknath, Kristin Aslaug Persson
A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis. Nature communications 12 (1) (2021)
Paul K Todd, Matthew J McDermott, Christopher L Rom, Adam A Corrao, Jonathan J Denney, Shyam S Dwaraknath, Peter G Khalifah, Kristin Aslaug Persson, James R Neilson
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space. Journal of the American Chemical Society 143 (37) (2021)
Samuel M Blau, Hetal D Patel, Evan Walter Clark Spotte-Smith, Xiaowei Xie, Shyam S Dwaraknath, Kristin Aslaug Persson
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation. Chemical science 12 (13) (2021)
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J Conduit, Shyam S Dwaraknath, Matthew L Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Süleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J Morris, Arash A Mostofi, Kristin A Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
OPTIMADE, an API for exchanging materials data. Scientific data 8 (1) (2021)
Evan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie, Hetal D Patel, Mingjian Wen, Brandon Wood, Shyam S Dwaraknath, Kristin Aslaug Persson
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species. Scientific data 8 (1) (2021)
Yiming Chen, Chi Chen, Chen Zheng, Shyam S Dwaraknath, Matthew K Horton, Jordi Cabana, John Rehr, John Vinson, Alan Dozier, Joshua J Kas, Kristin A Persson, Shyue Ping Ong
Database of ab initio L-edge X-ray absorption near edge structure. Scientific data 8 (1) (2021)
Paul K Todd, Allison Wustrow, Rebecca D McAuliffe, Matthew J McDermott, Gia Thinh Tran, Brennan C McBride, Ethan D Boeding, Daniel O'Nolan, Chia-Hao Liu, Shyam S Dwaraknath, Karena W Chapman, Simon J L Billinge, Kristin Aslaug Persson, Ashfia Huq, Gabriel M Veith, James R Neilson
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO3 Polymorphs. Inorganic chemistry 59 (18) (2020)
Mingjian Wen, Samuel M Blau, Evan Walter Clark Spotte-Smith, Shyam S Dwaraknath, Kristin Aslaug Persson
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules. Chemical science 12 (5) (2020)
Lauren M Garten, David T Moore, Sanjini U Nanayakkara, Shyam S Dwaraknath, Philip Schulz, Jake Wands, Angus Rockett, Brian S Newell, Kristin Aslaug Persson, Susan Trolier-McKinstry, David S Ginley
The existence and impact of persistent ferroelectric domains in MAPbI3. Science advances 5 (1) (2019)
Muratahan Aykol, Shyam S Dwaraknath, Wenhao Sun, Kristin Aslaug Persson
Thermodynamic limit for synthesis of metastable inorganic materials. Science advances 4 (4) (2018)