COMPMonday, August 20, 2007

1:30 PM-5:15 PM BCEC -- 156B, Oral
Computational Science & Engineering Advances Supported by NSF Resource
Engineering Sciences
Organizer:John Towns
1:30 PMMultiscale models for biomolecular engineering
Yiannis Kaznessis
2:00 PMAll-atom and multiscale modeling of silicon nanobiodevices
Aleksei Aksimentiev
2:30 PMHigh-performance, multiscale simulation of engineered tissue mechanics
Victor H Barocas, Triantafyllos Stylianopoulos, Xiaojuan Luo, Mark S Shephard
3:00 PMImprovement in structure model accuracy and molecular replacement through high-resolution protein structure refinement
Bin Qian, David Baker
3:30 PMIntermission
3:45 PMPerforming simulations at the terascale today and at the sustained petascale "tomorrow"
Jeffrey A Nichols
4:15 PMScreened hybrid DFT and the Mott transition in MnO
Richard L. Martin
4:45 PMAdvances in ab initio and density functional approaches: From a methodological and basis set perspective
Angela K. Wilson

Computational Science & Engineering Advances Supported by NSF Resource -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007