Automated Author Profile

Priya, Vashishta

Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA 90089-0242, USA

Current S-Index

1.5

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

0.7

Average Dataset Index per dataset

Total Datasets

2

Total datasets for this author

Average FAIR Score

69.2%

Average FAIR Score per dataset

Total Citations

0

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

Data for "Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition"

Data for "Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition".neutron_data.zip --> neutron data in .nxspe form. S(Q,E) calculated using the DAVE software. Includes logbook spreadsheet. Training_Data.xyz --> xyz file containing training data used to generate Allegro machine learning forcefield in the papernh3_pimd.deploy --> Trained Allegro model to that can be used in LAMMPS and RXMD software a ML forcefield POSCAR_UNIT_CELL_AMMONIA --> NH3 unit cell in solid phase in POSCAR format that can be read by the VASP software used to perform the DFT simmulations.

Authors

  • Linker, Thomas ;
  • Aravind, Krishnamoorthy ;
  • Damen, Luke ;
  • Ramirez-Cuesta, A.J ;
  • Nomura, Ken-ichi ;
  • Nakano, Aiichiro ;
  • Cheng, Y.Q ;
  • Hicks, Robby ;
  • Kolesnikov, Alexander ;
  • Priya, Vashishta
0 Citations0 Mentions69% FAIR0.7 Dataset Index
10.5281/zenodo.107915302024

Data for "Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition"

Data for "Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition".neutron_data.zip --> neutron data in .nxspe form. S(Q,E) calculated using the DAVE software. Includes logbook spreadsheet. Training_Data.xyz --> xyz file containing training data used to generate Allegro machine learning forcefield in the papernh3_pimd.deploy --> Trained Allegro model to that can be used in LAMMPS and RXMD software a ML forcefield POSCAR_UNIT_CELL_AMMONIA --> NH3 unit cell in solid phase in POSCAR format that can be read by the VASP software used to perform the DFT simmulations.

Authors

  • Linker, Thomas ;
  • Aravind, Krishnamoorthy ;
  • Damen, Luke ;
  • Ramirez-Cuesta, A.J ;
  • Nomura, Ken-ichi ;
  • Nakano, Aiichiro ;
  • Cheng, Y.Q ;
  • Hicks, Robby ;
  • Kolesnikov, Alexander ;
  • Priya, Vashishta
0 Citations0 Mentions69% FAIR0.7 Dataset Index
10.5281/zenodo.108405772024