Recent News and Events:
10.04.2024 Valentino R. Cooper has been elected as a Fellow of the American Physical Society

08.30.2024 Check our recent article tited: "Putting error bars on density functional theory"

05.28.2024 Welcome to Brock Dyer who joins our group as a SULI student for the summer!

05.28.2024 Welcome to Drew Autry who joins our group as a NGSI student for the summer!

Recent Publications:

P. R. Raghuvanshi, S. Wang, J. Phillips, D. Abernathy, L. Daemen, V. R. Cooper, L. Lindsay, R. P. Hermann, D. S. Parker Lattice structure and dynamics of sparse molecular crystals: OsO4 and RuO4 J. Phys. Chem. C (2025)

P. R. Raghuvanshi, S. Wang, J. Phillips, D. Abernathy, L. Daemen, V. R. Cooper, L. Lindsay, R. P. Hermann, D. S. Parker Dataset for lattice structure and dynamics of sparse molecular crystals: OsO4 and RuO4 Constellation 10.13139/ORNLNCCS/2518791 (2025)

H. J. Cassady, E. Martin, Y. Liu, D. Bhattacharya, M. F. Rochow, B. A. Dyer, W. F. Reinhart, V. R. Cooper, M. A. Hickner A database of non-aqueous proton conducting materials ACS Appl. Mater. Interfaces 17 16901 (2025)

H. J. Cassady, E. Martin, Y. Liu, D. Bhattacharya, M. F. Rochow, B. A. Dyer, W. F. Reinhart, V. R. Cooper, M. A. Hickner A database of non-aqueous proton conducting materials Zenodo (2025)

P. R. Raghuvanshi, T. Berlijn, D. S. Parker, S. Wang, M. Manley, R. P. Hermann, L. Lindsay, V. R. Cooper Altermagnetic behavior in OsO2: Parallels with RuO2 Phys. Rev. Materials 9 034407 (2025)

P. R. Raghuvanshi, T. Berlijn, D. S. Parker, S. Wang, M. Manley, R. P. Hermann, L. Lindsay, V. R. Cooper Dataset for altermagnetic behavior in OsO2: Parallels with RuO2 Constellation 10.13139/ORNLNCCS/2515571 (2025)

Q. Zhu, Y. Liu, L. B. Shepard, D. Bhattacharya, S. Sinnott, W. Reinhart, V. R. Cooper, R. Kumar Using data-science approaches to unravel insights for enhanced transport of lithium ions in single-ion conducting polymer electrolyte Chem. Mater. 36 11934 (2024)

Q. Zhu, Y. Liu, L. B. Shepard, D. Bhattacharya, S. Sinnott, W. Reinhart, V. R. Cooper, R. Kumar Using data-science approaches to unravel insights for enhanced transport of lithium ions in single-ion conducting polymer electrolyte (dataset) Constellation 10.13139/OLCF/2441479 (2024)

Z. Huang, M. Lehmann, A. Bhattacharya, Y. Liu, V. R. Cooper, R. J. Clément, T. Saito, M. A. Hickner, R. H. Colby Enhanced anhydrous proton conductivity in azole phosphonic acid mixtures ACS Appl. Energy Mater. 7 10826 (2024)

E. M. Clements, D. Ovchinnikov, P. R. Raghuvanshi, V. R. Cooper, S. Okamoto A. Christianson, J. A. Paddison, B. R. Ortiz, S. Calder, A. F. May, X. Xu, M. A. McGuire, J. Yan MnRhBi3: A cleavable antiferromagnetic metal Chem. Mater. 36 11306 (2024)

S. F. Yuk, I. Sargin, N. Meyer, J. T. Krogel, S. P. Beckman, V. R. Cooper Putting error bars on density functional theory Sci. Rep. 14 20219 (2024)

S. F. Yuk, I. Sargin, N. Meyer, J. T. Krogel, S. P. Beckman, V. R. Cooper Putting error bars on density functional theory dataset Constellation DOI:10.13139/OLCF/2404285 (2024)