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Fe-Cu-Ni liquid ternary calculations with EAM
Trinkle, Dallas R.
A Coarse-Grained Simulation Toolkit for Metal–Organic Framework Synthesis
Scott, Reum N.;
Milner, Phillp J.;
Dshemuchadse, Julia
Ostwald Ripening Dataset for "Accelerating phase-field simulation of coupled microstructural evolution using autoencoder-based recurrent neural networks"
Gesch, Aidan H.;
Hu, Chongze
Spin-space averaged Fe–C diffusion calculations from density functional theory
Wirth, Luke J.;
Trinkle, Dallas R.
A new generation of effective core potentials: Selected lanthanides and heavy elements II
Madany, Omar;
Kincaid, Benjamin;
Shaikh, Aqsa;
Morningstar, Elizabeth;
Mitas, Lubos
Data for Graphene-hBN interlayer interactions from quantum Monte Carlo
Kittithat Krongchon Tawfiqur Rakib, Daniel Palmer, Elif Ertekin, and Harley T. Johnson, Lucas K. Wagner
MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials
Maxson, Tristan;
Soyemi, Ademola;
Zhang, Xinglong;
Chen, Benjamin Wei Jie;
Szilvasi, Tibor
BCC Fe Dislocation Atomic Energies from DFT+EDM and Classical Potentials
Dan, Yang;
Trinkle, Dallas R.
W edge dislocation relaxation with LAMMPS
Trinkle, Dallas R.
Dataset for Actuating Superparamagnetic Nanoparticle Monolayers
Esposito, Edward P.;
Rios, Hector Manuel Lopez;
de la Cruz, Monica Olvera;
Jaeger, Heinrich M.