Shyam S Dwaraknath

12PUBLICATIONS
61CO-AUTHORS
Data engineering and data scienceData structures and algorithmsMetal organic frameworksProgramming languagesElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (12)

|Sep 14, 2023
Shared metadata for data-centric materials science.

Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau

|Oct 28, 2022
A representation-independent electronic charge density database for crystalline materials.

Jimmy-Xuan Shen, Jason M Munro, Matthew K Horton

|Sep 07, 2021
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space.

Paul K Todd, Matthew J McDermott, Christopher L Rom

|Aug 13, 2021
OPTIMADE, an API for exchanging materials data.

Casper W Andersen, Rickard Armiento, Evgeny Blokhin

|Aug 06, 2021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species.

Evan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie

|Jun 24, 2021
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules.

Mingjian Wen, Samuel M Blau, Evan Walter Clark Spotte-Smith

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Frequent Collaborators

7 joint publications

Kristin A Persson

3 joint publications

Evan Walter Clark Spotte-Smith

3 joint publications

Matthew K Horton

2 joint publications

Gian-Marco Rignanese