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Prediction & Screening of η-Carbide-Type Nitrides for Ammonia Synthesis - Data
Luka H. Mikek;
Dallas R. Trinkle
Data for "Excited state optimization for strongly correlated quantum defects using ensemble variational Monte Carlo"
Kevin Kleiner;
Lucas Wagner
Data for Quantum Monte Carlo assessment of embedding for strongly correlated defects: interplay between mean-field starting point and interactions
Kevin Kleiner;
Sonali Joshi;
Rohan Joshi;
Woncheol Lee;
Alexander Hampel;
Malte Rösner;
Cyrus Dreyer;
Lucas Wagner
Data for Thermodynamics and Kinetics of Li at the Ag-Li Battery Interface
Grace Lu;
Dallas R. Trinkle
Nanoscale Growth and Densification of Calcium Oxalate Crystals
Lioudmila V. Sorokina;
Abhijit H. Phakatkar;
Tolou Shokuhfar;
Reza Shahbazian – Yassar
A Multi-Alloys and Multi-Modal Dataset for Spatial Intelligence Learning of Microstructure–Plasticity–Mechanical Property Relationships in Metals
Mathieu Calvat;
Gregory Sparks;
Dhruv Anjaria;
Chris Bean;
Haoren Wang;
Maik Rajkowski;
Aditya Srinivasan Tirunilai;
Guillaume Laplanche;
Stéphane Forsik;
Kenneth Vecchio;
J.C. Stinville
Unified QMC datasets from QMC-HAMM
Lucas K. Wagner;
Shubhang Goswami;
Scott Jensen;
Hongwei Niu;
Harley Johnson;
Elif Ertekin;
Tawfiqur Rakib;
Kevin Kleiner;
Kitthitat Krongchon;
Daniel Palmer;
David Ceperley
Original Data from "Insights into strain change of calcite by imaging defect-driven dissolution in the presence of Pb2+".
Suzana, Ana F.;
Lee, Sang Soo;
Calvo-Almazán, Irene;
Cha, Wonsuk;
Harder, Ross;
Fenter, Paul
Investigating the effects of local environment on nitrogen vacancies in high entropy metal nitrides - Data
DeSilva, Charith R.;
Witman, Matthew D.;
Trinkle, Dallas R.
BCC Fe Dislocation Atomic Energies from DFT+EDM and Classical Potentials
Dan, Yang;
Trinkle, Dallas R.