Center for Computational Molecular Science and Technology Georgia Institute of Technology Center for Computational Molecular Science and Technology School of Chemistry and Biochemistry

Rigoberto Hernandez

Co-director



School of Chemistry and Biochemistry

Georgia Institute of Technology

Office: MSE 2100L

Phone: 404-894-0594

E-mail Rigoberto Hernandez

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Publications with CCMST support:

  • Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations, A. V. Popov, EA Gould, M. A. Salvitti, R. Hernandez and K. M. Solntsev, Physical Chemistry Chemical Physics, 13, 14914-14927 [2011]
  • Absence of Enhanced Diffusion in the Dynamics of a Thick Needle through Three-Dimensional Fixed Spherical Scatterers, A. K. Tucker and R. Hernandez, Journal Of Physical Chemistry B, 115, 4412-4418 [2011]
  • Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y, G Ozer, E. F. Valeev, S. Quirk and R. Hernandez, Journal of Chemical Theory and Computation, 6, 3026-3038 [2010]
  • Transition state theory in liquids beyond planar dividing surfaces, R. Hernandez, T. Uzer, and T. Bartsch, Chemical Physics, 370, 270-276 [2010]
  • Diffusion in a nonequilibrium binary mixture of hard spheres swelling at different rates, A. V. Popov and R. Hernandez, Journal Of Chemical Physics, 131, 024503 [2009]
  • Transition-State Theory Rate Calculations with a Recrossing-Free Moving Dividing Surface, T. Bartsch, T. Uzer, J. M. Moix and R. Hernandez, Journal Of Physical Chemistry B, 112, 206-212 [2008]
  • Momentum and Velocity Autocorrelation Functions of a Diatomic Molecule Are Not Necessarily Proportional to Each Other, J. M. Moix and R. Hernandez, Journal Of Physical Chemistry B, 112, 213-218 [2008]
  • The important fluctuation dynamics of large protein structures are preserved upon renormalization, P. Doruker, R. L. Jernigan, I. Navizet and R. Hernandez, International Journal Of Quantum Chemistry, 90, 822-837 [2002]
  • A minimalist model protein with multiple folding funnels, C. R. Locker and R. Hernandez, Proceedings Of The National Academy Of Sciences Of The United States Of America, 98, 9074-9079 [2001]