Sherrill Group Logo
Search the Sherrill Group

menu line

Return to Members
Carlos H. Borca
Group Position: Postdoctoral Fellow
Educational Background
  • Ph.D. in Chemistry (Purdue University - 2017 - West Lafayette, Indiana)
  • B.S. in Chemistry (Universidad del Valle - 2009 - Cali, Colombia)
PhD. Thesis

     Challenges in Molecular Modeling Engaged from Two Distinct Theoretical Perspectives

  • 2015 Outstanding Accomplishment Award: LLNL Students Symposium
  • 2014 Ely Lily Scholar
  • 2011 Colciencias Young Scientists and Innovators Fellow
Research Interests
  • Fragmentation Methods
  • Classical Molecular Dynamics
  • Density Functional Development
  • Excited-States Phenomena
Representative Publications

``Molecular Dynamics of a Water-Absorbent Nanoscale Material Based On Chitosan,'' C. H. Borca and C. A. Arango, J. Phys. Chem. B 120, 3754-3764 (2016) (doi: 10.1021/acs.jpcb.5b11230)

``Domain Separation in Density Functional Theory,'' M. A. Mosquera, L. O. Jones, C. H. Borca, M. A. Ratner, and G. C. Schatz, J. Phys. Chem. A 123, 4785-4795 (2019) (doi: 10.1021/acs.jpca.9b01173)

``Ground-State Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange,'' C. H. Borca, L. V. Slipchenko, and A. Wasserman, J. Phys. Chem. A 120, 8190-8198 (2016) (doi: 10.1021/acs.jpca.6b09014)

``Connection Between Hybrid Functionals and Importance of the Local Density Approximation,'' M. A. Mosquera, C. H. Borca, M. A. Ratner, and G. C. Schatz, J. Phys. Chem. A 120, 1605-1612 (2016) (doi: 10.1021/acs.jpca.5b10864)

© The Sherrill Group
Georgia Institute of Technology
Generated: 9-19-2019