| 2021-02-15 |
FeSi binary alloy electronic structure low-Si dataset (1024 atoms) |
Lupo Pasini, Massimiliano; Reeve, Sam; Samolyuk, German; Ellis, Dean; Eisenbach, Markus |
10.13139/ORNLNCCS/1765080 |
| 2021-02-15 |
FePt binary alloy with 32 atoms - LSMS-3 data |
Lupo Pasini, Massimiliano; Eisenbach, Markus |
10.13139/OLCF/1762742 |
| 2021-01-25 |
thornado 2020 |
Messer, Bronson |
10.13139/OLCF/1735948 |
| 2021-01-22 |
LaSrMnO3 Low Energy Electron Diffraction IV Data Repository |
Kelley, Kyle; Sharma, Vinit; Zhang, Wenrui; Nascimento, Von; Baddorf, Arthur |
10.13139/ORNLNCCS/1761204 |
| 2021-01-22 |
BEPS Propagation of priors Datasets |
Creange, Nicole; Kelley, Kyle; Smith, Christopher; Sando, Daniel; Paul, Oliver; Valanoor, Nagarajan; Somnath, Suhas; Jesse, Stephen; Kalinin, Sergei; Vasudevan, Rama |
10.13139/ORNLNCCS/1761194 |
| 2021-01-20 |
SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Lowest Temperature Extracted Protein Coordinate Trajectories) |
Smith, Micholas Dean; Rogers, David; Vermaas, Josh; Smith, Jeremy C |
10.13139/OLCF/1657844 |
| 2021-01-20 |
SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 3 (Raw Temperature Replica Exchange Molecular Dynamics Trajectories) |
Smith, Micholas Dean; Rogers, David; Vermaas, Josh; Smith, Jeremy C |
10.13139/OLCF/1657847 |
| 2021-01-20 |
SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters) |
Smith, Micholas Dean; Rogers, David M; Vermaas, Josh; Smith, Jeremy C |
10.13139/OLCF/1650650 |
| 2020-12-31 |
Molecular simulation data for 'Data-guided Multi-Map variables for ensemble refinement of molecular movies' |
Vermaas, Josh; Sarkar, Daipayan; Streitwieser, Ellen; Fiorin, Giacomo; Skeel, Robert; Singharoy, Abhishek; Vant, John Wyatt |
10.13139/OLCF/1674982 |
| 2020-12-07 |
Lattice strain and other supporting data from operando neutron diffraction study of a Honda GX200 engine with an Al-Ce cylinder head |
Wissink, Martin L.; Chen, Yan; Frost, Matthew J.; Curran, Scott J.; Rios, Orlando; Sims, Zachary C.; Weiss, David; An, Ke |
10.13139/ORNLNCCS/1728670 |
