papers
Publications (5)
physics.bio-ph2012
Molecular Biology at the Quantum Level: Can Modern Density Functional Theory Forge the Path?
Brian Kolb, T. Thonhauser
cond-mat.soft2011
vdW-DF Study of energetic, structural, and vibrational properties of small water clusters and ice Ih
Brian Kolb, T. Thonhauser
cond-mat.mtrl-sci2012
Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid
Kyuho Lee, Brian Kolb, T. Thonhauser +2
cond-mat.mtrl-sci2011
Ab initio energetics and kinetics study of H_2 and CH_4 in the SI Clathrate Hydrate
Qi Li, Brian Kolb, Guillermo Roman-Perez +5
physics.chem-ph2014
The Combined Influence of Nuclear Quantum Effects and van der Waals Interactions on the Structure of Ambient Water
Jeffrey M. McMahon, Miguel A. Morales, Brian Kolb +1