Section A-Quantum Chemistry
- Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers
Alvaro Vazquez-Mayagoitia, W. Scott Thornton, Jeff R. Hammond and Robert J. Harrison
- On the Transferability of Three Water Models Developed by Adaptive Force Matching
Hongyi Hu, Zhonghua Ma and Feng Wang
Section B-Biological Applications
- Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales
Kayla Sapp, Roie Shlomovitz and Lutz Maibaum
- A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane
Giray Enkavi, Jing Li, Pochao Wen, Sundarapandian Thangapandian, Mahmoud Moradi, Tao Jiang, Wei Han and Emad Tajkhorshid
- Monte Carlo Simulation of Electrolyte Solutions in Biology: In and Out of Equilibrium
Dezso Boda
Section C-Chemical Education
- The Development and Implementation of a Bio-Molecular Docking Exercise for the General Chemistry LaboratoryClare E. O'Grady, Peter Talpey, Timothy E. Elgren and Adam W. Van Wynsberghe