Bobby G Sumpter

Bobby G Sumpter


Oklahoma State University Ph.D. 1987 Physical Chemistry
Southwestern Oklahoma State University B.S. 1983 Chemistry (ACS Certified)

Professional Experience
2015–Present Vice Chair Corporate Fellows Council, Oak Ridge National Laboratory
2014–Present Deputy Director, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory (ORNL)
2013–Present Joint Faculty Professor, Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee
2013–Present ORNL Corporate Fellow
2009–Present Group Leader, Computational Chemical and Materials Sciences and Director of the Nanomaterials Theory Institute, Oak Ridge National Laboratory, (ORNL), Oak Ridge, Tennessee
2009–Present Distinguished Research Staff, ORNL, Oak Ridge, Tennessee
2006–2009 Senior Research Staff, Center for Nanophase Materials Sciences, ORNL, Oak Ridge, Tennessee
2003–2009 Senior Research Staff, Computer Science & Mathematics Division, ORNL, Oak Ridge, Tennessee
1992–2002 Research staff scientist, ORNL, Oak Ridge, Tennessee
1988–1992 Research Associate, UT/ORNL, Oak Ridge, Tennessee
1987–1988 Postdoctoral Research, Cornell University

Brief Research Synopsis: My research is directed primarily toward developing and applying modern computational and mathematical capabilities for the understanding and prediction of chemical and physical processes ranging from the molecular to the nanoscale to full-size engineering applications, using a multidisciplinary approach that integrates chemistry, physics, and materials science. Work is closely coupled with the experiments at the Center for Nanophase Materials Sciences (CNMS) and the Spallation Neutron Source (SNS), with a scientific focus on using theory and multiscale simulations and modeling for providing interpretive and predictive frameworks for design and understanding of novel nanoscale materials with specific and/or emergent properties. The underlying goal is to understand, predict, design, control, and/or exploit complex behavior that emerges at the nanoscale to enable capabilities that can lead to new innovations and improved materials for energy science and technology. Overall, this vision is aggressively pursued through a multi-pronged and tight integration with Oak Ridge National Laboratory distinctive capabilities in precision experimental synthesis and state-of-the-art characterization along side leadership class computing.


More than 350 articles in peer reviewed journals (see and, including

1. S. Kalinin, B. G. Sumpter, R. Archibald, Big-Deep-Smart Data in Imaging for Guiding Materials Design, Nature Materials, 14, 973-980 (2015). DOI: 10.1038/NMAT4395
2. Unocic, A. Tselev, M. Fuentes-Cabrera, B. G. Sumpter, S.J. Pennycook, S. V. Kalinin, A.Y. Borisevich, Atomic-level sculpting of crystalline oxides: towards bulk nanofabrication with single atomic plane precision, Small 11, 5895-5800 (2015). DOI: 10.1002/smll.201502048
3. Ganesh R Bhimanapati, Zhong Lin, Vincent Meunier, Judy Cha, Saptarshi Das, Di Xiao, Michael Strano, Valentino Cooper, Liangbo Liang, Steven G. Louie, Emilie Ringe, Wu Zhou, Bobby G. Sumpter Humberto Terrones, Fengnian Xia, Jun Zhu, Deji Akinwande, Nasim Alem, John Schuller, Raymond Schaak, Mauricio Terrones, Joshua A. Robinson, Recent Advances in 2D Materials Beyond Graphene, ACS Nano, DOI: 10.1021/acsnano.5b05556 (2015).
4. Jingjing Lin, Liangbo Liang, Xi Ling, Shuqing Zhang, Nannan Mao, Na Zhang, Bobby G. Sumpter, Vincent Meunier, Lianming Tong, Jin Zhang, Enhanced Raman Scattering on In-plane Anisotropic Layered Materials, J. Am. Chem. Soc. DOI: 10.1021/jacs.5b10144 (2015).
5. Bing Huang, Mina Yoon, Bobby G Sumpter, Su-Huai Wei, Feng Liu, Alloy Engineering of Defect Properties in Semiconductors: Suppression of Deep Levels in 2D Transition-metal Dichalcogenides, Phys. Rev. Lett. 115, 126806 (2015).
6. Yong-Hui Tian, Jingsong Huang, Bobby G. Sumpter, Miklos Kertesz, Nitrogen-Doping Enables Covalent-Like π−π Bonding between Graphenes, Nano Lett. 15, 5482-5491 (2015). DOI: 10.1021/acs.nanolett.5b01940
7. Jan-Michael Y. Carrillo, Shiwang Cheng, Rajeev Kumar, Monojoy Goswami, Alexei P. Sokolov, Bobby G. Sumpter, Untangling the Effects of Chain Rigidity on the Structure and Dynamics of Strongly Adsorbed Polymer Melts, Macromolecules 48, 4207−4219 (2015). DOI: 10.1021/acs.macromol.5b00624
8. Xi Ling, Liangbo Liang, Shengxi Huang, Alexander A. Puretzky, David B. Geohegan, Bobby G. Sumpter, Jing Kong, Vincent Meunier, Mildred S. Dresselhaus, Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus, Nano Lett. 15, 4080−4088 (2015). DOI: 10.1021/acs.nanolett.5b01117
9. Alexander A. Puretzky, Liangbo Liang, Xufan Li, Kai Xiao, Kai Wang, Masoud Mahjouri-Samani, Leonardo Basile, Juan Idrobo, Bobby G. Sumpter, Vincent Meunier, David B. Geohegan, Low-frequency Raman spectroscopy reveals stacking patterns of two-dimensional transition metal dichalcogenides, ACS Nano 9, 6333–6342 (2015). DOI: 10.1021/acsnano.5b01884
10. Jewook Park, Jaekwang Lee, Lei Liu, Corentin Durand, Changwon Park, Mina Yoon, Bobby G. Sumpter, Arthur P. Baddorf, Gong Gu, and An-Ping Li, Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures, Nature Commun. 5:5403 (2015). DOI:10.1038/ncomms6403
11. Liangbo Liang, Jun Wang, Wenzhi Lin, Bobby G. Sumpter, Vincent Meunier, Minghu Pan, Electronic Bandgap and Edge Reconstruction in Phosphorene Materials, Nano. Lett. 16, 6400-6406 (2015). DOI: 10.1021/nl502892t
12. Nuradhika Herath, Sanjib Das, Jong K. Keum, Jiahua Zhu, Rajeev Kumar, Ilia N. Ivanov, Bobby G. Sumpter, James F. Browning, Kai Xiao, Gong Gu, Pooran Joshi, Sean Smith, Valeria Lauter, Peculiarity of Two Thermodynamically-Stable Morphologies and Their impact on the Efficiency of Solution-Processed Small Molecule Bulk Heterojunction Photovoltaic Devices, Nature Sci. Reports, 5: 13407 (2015). DOI: 10.1038/srep13407
13. Yong-Hui Tian, Jingsong Huang, Bobby G. Sumpter, Boron- and Nitrogen-Doped Phenalenyls: Unexpected 2e/ and 4e/all-sites iiCovalency and Genuine Pancake Double Bonding, submitted. J. Phys. Chem. Lett. 6, 2318−2325 (2015). DOI: 10.1021/acs.jpclett.5b00857
14. Jiahua Zhu, Youngkyu Han, Rajeev Kumar, Youjun He, Kunlun Hong, Peter Bonnesen, Bobby G. Sumpter, Changwoo Do, Sean Smith, Ilia Ivanov, Changwoo Do, Controlling Molecular-Ordering in Solution-State Conjugated Polymers, Nanoscale 7, 15134-15141 (2015). DOI: 10.1039/C5NR02037A
15. Changwon Park, Junga Ryou, Suklyun Hong, Bobby Sumpter, Gunn Kim, and Mina Yoon, Electronic properties of bilayer graphenes strongly coupled to interlayer stacking and an external field, Phys. Rev. Lett. 115, 015502 (2015).
16. Yadong He, Peng Wu, Jingsong Huang, Bobby G. Sumpter, Alexei A. Kornyshev, Rui Qiao, Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study, J. Phys. Chem. Lett. 6, 22−30 (2015). DOI: 10.1021/jz5024306
17. Jia Zhou, Bobby G. Sumpter, Paul R. C. Kent, Jingsong Huang, A Novel and Functional Single‐Layer Sheet of ZnSe, ACS Applied Materials & Interfaces 7, 1458–1464 (2015). 10.1021/am505655m
18. Evgheni Strelcov, Rajeev Kumar, Vera Bocharova, Bobby G. Sumpter, Alexander Tselev, Sergei V. Kalinin, Nanoscale Lubrication of Ionic Surfaces Controlled via a Strong Electric Field, Nature Sci. Reports. 5:8049 (2015). DOI: 10.1038/srep08049
19. Rajeev Kumar,Vera Bocharova, Evgheni Strelcov, Alexander Tselev, Ivan I. Kravchenko, Stefan Berdzinski, Veronika Strehmel, Olga S. Ovchinnikova, Joseph A. Minutolo, Joshua R. Sangoro, Alexander L. Agapov, Alexei P. Sokolov, Sergei V. Kalinin, Bobby G. Sumpter, Ion transport and softening in a polymerized ionic liquid, Nanoscale 7, 947-955 (2015). DOI: 10.1039/c4nr05491a
20. Suk-kyun Ahn, Jan-Michael Y. Carrillo, Youngkyu Han, Tae-Hwan Kim, David Uhrig, Deanna L. Pickel, Kunlun Hong, S. Michael Kilbey II, Bobby G. Sumpter, Gregory S. Smith, Changwoo Do, Structural Evolution of Polylactide Molecular Bottlebrushes: Kinetics Study by Size Exclusion Chromatography, Small Angle Neutron Scattering and Simulations, ACS Macro. Lett 3, 862-866 (2014)

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