Driving materials innovation through computation and theory

The overarching goal of our research is the prediction of materials with enhanced properties that can be synthesized and remain active under device relevant conditions.

Recent News and Events:
04.18.2023 Cooper appointed to DOE's Basic Energy Sciences Advisory Committee.

02.10.2023 Read our Q. and A. with Nature Computational Science on Advancing the Science of Synthesis.

01.11.2023 Learn about the Future of Energy @ ORNL. See us on QED with Dr. B .

08.31.2022 There is an opening for a post-doctoral researcher working with myself and my colleague Lucas Lindsay. We are seeking someone with skills in the development and application of density functional theory methods to understand phase and dynamical stabilities and vibrational, electronic, and magnetic properties of functional materials with defects and disorder. Interested persons can apply through the ORNL Careers Site. Please feel free to contact me if you would like to learn more.

08.30.2022 Cooper to lead new Energy Frontier Research Center on polymer electrolytes for energy storage with co-director Susan Sinnott (Penn State) and partner institutions Georgia State, Penn State, Texas A&M , UC Santa Barbara, University of Illinois Urbana-Champaign, and University of Tennessee, Knoxville.

Recent Publications:

B. Jiang, K. Pitike, D.-Y. Lin, S. C. Purdy, X. Wang, Y.-F. Zhao, Y. Zhang, P. Metz, A. Macias, H. Meyer, A. Borisevich, J. Yan, V. R. Cooper, C. A. Bridges, K. Page Local cation ordering in compositionally complex Ruddlesden-Popper n = 1 oxides APL Mater. 11 051104 (2023)

A. R. Mazza, S. R. Acharya, P. Wasik, J. Lapano, J. Li, B. L. Musico, V. Keppens, C. T. Nelson, A. F. May, M. Brahlek, C. Mazzoli, J. Pelliciari, V. Bisogni, V. R. Cooper, T. Z. Ward Variance induced decoupling of spin, lattice, and charge ordering in perovskite nickelates Phys. Rev. Res. 105 174414 (2023)

X. Li, S.-H. Do, J. Yan, M. A. McGuire, G. E. Granroth, S. Mu, T. Berlijn, V. R. Cooper, A. D. Christianson, L. Lindsay Phonons and phase symmetries in bulk CrCl3 from scattering measurements and theory Acta Mater. 241 118390 (2022)

D. S. Parker, L. Yin, G. D. Samolyuk, L. D. Sanjeewa, X. Wang, V. R. Cooper, Y. Liu, S. Bud'ko, and A. S. Sefat Insulating antiferromagnetism in VTe Phys. Rev. B 105 174414 (2022)

Y. Sharma, M.-C. Lee, K. Pitike, K. K. Mishra, Q. Zheng, X. Gao, B. Musico, A. R. Mazza, R. S. Katiyar, V. Keppens, M. Brahlek, D. A. Yarotski, R. P. Prasankumar, A. Chen, V. R. Cooper, T. Z. Ward High entropy oxide relaxor ferroelectrics ACS Appl. Mater. Interfaces 14 11962 (2022)

K. Pitike, A. Macias, M. Eisenbach, C. A. Bridges, V. R. Cooper Computationally accelerated discovery of high entropy pyrochlore oxides Chem. Mater. 34 1459 (2022)

C. Brundidge, V. R. Cooper Bettye Washington Greene: An industrial chemist and inventor who lit a path for innovation JOM 74 334 (2022)

T. Ferreira, S. R. Acharya, Y. W. Li, D. Parker, A. S. Sefat, V. R. Cooper Unintended consequence of topochemical reduction of SrFeO3 to SrFeO2: Design of infinite layered-oxides Phys. Rev. Mater. 5 123401 (2021)

Y. W. Li, K. Pitike, M. Eisenbach, V. R. Cooper Hands-on with OWL: The Oak Ridge Wang-Landau Monte Carlo software suite J. Phys.: Conf. Ser. 2122 012001 (2021)

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