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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)

``CrystaLattE: Automated Computation of Lattice Energies of Organic Crystals Exploiting the Many-Body Expansion to Achieve Dual-Level Parallelism,'' C. H. Borca, B. W. Bakr, L. A. Burns, and C. D. Sherrill, J. Chem. Phys. 151, 144103 (2019) (doi: 10.1063/1.5120520)

``Morphology of Organic Semiconductors Electrically Doped From Solution Using Phosphomolybdic Acid,'' T.-Y. Huang, F. A. Larrain, C. H. Borca, C. Fuentes-Hernandez, H. Yan, S. A. Schneider, W.-F. Chou, V. A. Rodriguez-Toro, H.-G. Steinrück, C. Cao, C. D. Sherrill, B. Kippelen, and M. F. Toney, Chem. Mater. 31, 6677-6683 (2019) (doi: 10.1021/acs.chemmater.9b01069)

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Georgia Institute of Technology
Generated: 4-5-2020