Computational Sciences & Engineering Div

Search results

• Novel Boron Nitride MXenes as Promising Energy Storage Materials

  Muraleedharan, M. G. (Creator) & Kent, P. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jun 14 2022

  DOI: 10.13139/ORNLNCCS/1871170

  Dataset

• GDB-9-Ex: Quantum chemical prediction of UV/Vis absorption spectra for GDB-9 molecules

  Lupo Pasini, M. (Creator), Yoo, P. (Creator), Mehta, K. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 22 2022

  DOI: 10.13139/OLCF/1890227

  Dataset

• ORNL_AISD_NiNb

  Jung, G. (Creator), Lupo Pasini, M. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 11 2022

  DOI: 10.13139/OLCF/1890159

  Dataset

• Height Above Nearest Drainage (HAND) and Hydraulic Property Table for CONUS

  Liu, Y. (Creator), Tarboton, D. (Creator) & Maidment, D. R. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 6 2020

  DOI: 10.13139/ORNLNCCS/1608331

  Dataset

• International land Model Benchmarking (ILAMB) Package v002.00

  Collier, N. (Creator), Hoffman, F. (Creator), Mu, M. (Creator), Randerson, J. T. (Creator) & Riley, W. J. (Creator), Reducing Uncertainties in Biogeochemical Interactions through Synthesis and Computation Science Focus Area (RUBISCO SFA) , May 9 2016

  DOI: 10.18139/ILAMB.v002.00/1251621

  Dataset

• ORNL_AISD_NiPt_108atoms

  Karabin, M. (Creator), Lupo Pasini, M. (Creator) & Eisenbach, M. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 18 2023

  DOI: 10.13139/OLCF/1972726

  Dataset

• HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling

  Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Mehta, K. (Creator), Zhang, P. (Creator), Rogers, D. (Creator), Bae, J. (Creator), Ibrahim, K. (Creator), Aji, A. (Creator), Schulz, K. W. (Creator), Polo, J. (Creator) & Balaprakash, P. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 1 2024

  DOI: 10.13139/OLCF/2474799

  Dataset

• AISD HOMO-LUMO

  Blanchard, A. E. (Creator), Gounley, J. (Creator), Bhowmik, D. (Creator), Yoo, P. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 25 2022

  DOI: 10.13139/ORNLNCCS/1869409

  Dataset

• EAGLE-I Power Outage Data Information

  Tansakul, V. (Creator), Myers, A. (Creator), Tennille, S. (Creator), Denman, M. (Creator), Hamaker, A. (Creator), Huihui, J. (Creator), Medlen, K. (Creator), Allen, K. (Creator), Redmon, D. (Creator), Chinthavali, S. (Creator), Coletti, M. (Creator), Grant, J. (Creator), Lee, M. (Creator), Maguire, D. (Creator), Newby, S. (Creator), Dunivan Stahl, C. (Creator), Bhaduri, B. (Creator) & Sanyal, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 26 2023

  DOI: 10.13139/ORNLNCCS/1975203

  Dataset

• EAGLE-I Power Outage Data 2014 - 2022

  Tansakul, V. (Creator), Myers, A. (Creator), Tennille, S. (Creator), Denman, M. (Creator), Hamaker, A. (Creator), Huihui, J. (Creator), Medlen, K. (Creator), Allen, K. (Creator), Redmon, D. (Creator), Chinthavali, S. (Creator), Coletti, M. (Creator), Grant, J. (Creator), Lee, M. (Creator), Maguire, D. (Creator), Newby, S. (Creator), Dunivan Stahl, C. (Creator), Bhaduri, B. (Creator) & Sanyal, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 26 2023

  DOI: 10.13139/ORNLNCCS/1975202

  Dataset

• SARS-CoV2 Docking Dataset for MLMol Language Model (50M)

  Tsaris, A. (Creator), Gounley, J. (Creator) & Blanchard, A. E. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 20 2022

  DOI: 10.13139/ORNLNCCS/1868526

  Dataset

• TaZr_BCC_SolidSolution_128atoms_VASP6

  Samolyuk, G. (Creator), Eisenbach, M. (Creator), Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Rogers, D. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 30 2024

  DOI: 10.13139/OLCF/2466324

  Dataset

• Urban Parameters Maricopa County 100m Grid Spacing

  Dumas, M. (Creator) & Sweet-Breu, L. (Creator), Environmental System Science Data Infrastructure for a Virtual Ecosystem; Environmental Systems Science Data Infrastructure for a Virtual Ecosystem (ESS-DIVE), Jan 1 2024

  DOI: 10.15485/2370459

  Dataset

• muMatScale

  Yuan, L. (Creator), Fattebert, J.-L. (Creator) & Sabau, A. (Creator), GitHub, Aug 3 2023

  DOI: 10.11578/dc.20240112.2, https://github.com/lang-yuan/muMatScale

  Dataset: Software

• Data for Training and Testing Radiation Detection Algorithms in an Urban Environment

  Nicholson, A. (Creator), Peplow, D. (Creator), Anderson-Cook, C. M. (Creator), Greulich, C. (Creator), Ghawaly, J. (Creator), Myers, K. L. (Creator), Archer, D. (Creator), Willis, M. (Creator) & Quiter, B. J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Feb 5 2020

  DOI: 10.13139/ORNLNCCS/1597414

  Dataset

• TaV_BCC_SolidSolution_128atoms_VASP6

  Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator), Yin, J. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Dec 29 2023

  DOI: 10.13139/OLCF/2222910

  Dataset

• WaterTAP 0.3 Release

  Atia, A. (Creator), Knueven, B. (Creator), Beattie, K. (Creator), Bianchi, L. (Creator), Gunter, D. (Creator), Ladshaw, A. P. (Creator), Lee, A. (Creator), Amusat, O. (Creator), Allen, J. (Creator), Allu, S. (Creator), Drouven, M. (Creator), Young, E. (Creator) & Bartholomew, T. (Creator), NETL's Energy Data eXchange (EDX), Dec 23 2021

  DOI: 10.18141/2336707

  Dataset: Software

• Input files for irrigation and paddy field implementation over South Asia in WRF-CLM4 (in EN)

  Devanand, A. (Creator), Huang, M. (Creator), Ashfaq, M. (Creator), Barik, B. (Creator) & Ghosh, S. (Creator), DataHub, Aug 9 2019

  DOI: 10.25584/data.2019-08.903/1548406

  Dataset

• ORNL_AISD-Ex: Quantum chemical prediction of UV/Vis absorption spectra for over 10 million organic molecules

  Lupo Pasini, M. (Creator), Mehta, K. (Creator), Yoo, P. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jan 12 2023

  DOI: 10.13139/OLCF/1907919

  Dataset

• Improving the Estimation of the Atmospheric Water Vapor Pressure Using Interpretable Long Short-Term Memory Networks: Dataset, Python code, and trained models

  Gao, B. (Creator), Coon, E. (Creator), Thornton, P. (Creator) & Lu, D. (Creator), Environmental System Science Data Infrastructure for a Virtual Ecosystem; Environmental Systems Science Data Infrastructure for a Virtual Ecosystem (ESS-DIVE), Jan 1 2023

  DOI: 10.15485/2229439

  Dataset

• ORNL_AISD_NiPt

  Karabin, M. (Creator), Lupo Pasini, M. (Creator) & Eisenbach, M. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Mar 1 2023

  DOI: 10.13139/OLCF/1958172

  Dataset

• NbTaV_BCC_SolidSolution_128atoms_VASP6

  Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 30 2023

  DOI: 10.13139/OLCF/2217644

  Dataset

• EAGLE-I Power Outage Data 2023.

  Tansakul, V. (Creator), Myers, A. (Creator), Tennille, S. (Creator), Broughton, M. (Creator), Denman, M. (Creator), Hamaker, A. (Creator), Huihui, J. (Creator), Johnson, E. (Creator), Medlen, K. (Creator), Moncrief, R. (Creator), Quinn, F. (Creator), Ibanez, J. (Creator) & Redmon, D. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Feb 12 2024

  DOI: 10.13139/OLCF/2297398

  Dataset

• Prediction of microstructure formation in laser powder bed fusion process.

  Yuan, L. (Creator), Sabau, A. (Creator) & Fattebert, J.-L. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Feb 23 2024

  DOI: 10.13139/OLCF/2283409

  Dataset

• WRF Output from 270m domain running simulation with no 3D morphology, NUDAPT 3D morphology, 100m resolution 3D morphology and 10m resolution 3D morphology

  Dumas, M. (Creator), MultiSector Dynamics – Living, Intuitive, Value-adding, Environment (MSD-LIVE), Feb 1 2024

  DOI: 10.57931/2283554

  Dataset