Improved Sampling for Biological Molecules Using Shadow Hybrid Monte Carlo. - Scott S. Hampton; Jesús A. Izaguirre (International Conference on Computational Science, 2004)

ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics. - Thierry Matthey; Trevor M. Cickovski; Scott S. Hampton; Alice Ko; Qun Ma; Matthew Nyerges; Troy Raeder; Thomas Slabach; Jesús A. Izaguirre (ACM Trans. Math. Softw., 2004)

MDSIMAID: Automatic parameter optimization in fast electrostatic algorithms. - Michael S. Crocker; Scott S. Hampton; Thierry Matthey; Jesús A. Izaguirre (J. Comput. Chem., 2005)

Parallel multigrid summation for the N-body problem. - Jesús A. Izaguirre; Scott S. Hampton; Thierry Matthey (J. Parallel Distributed Comput., 2005)

Experimental Evaluation of Molecular Dynamics Simulations on Multi-core Systems. - Sadaf R. Alam; Pratul K. Agarwal; Scott S. Hampton; Hong Ong (HiPC, 2008)

Impact of multicores on large-scale molecular dynamics simulations. - Sadaf R. Alam; Pratul K. Agarwal; Scott S. Hampton; Hong Ong; Jeffrey S. Vetter (IPDPS, 2008)

Energy efficient biomolecular simulations with FPGA-based reconfigurable computing. - Ananth Nallamuthu; Melissa C. Smith; Scott S. Hampton; Pratul K. Agarwal; Sadaf R. Alam (Conf. Computing Frontiers, 2010)

Towards microsecond biological molecular dynamics simulations on hybrid processors. - Scott S. Hampton; Pratul K. Agarwal; Sadaf R. Alam; Paul S. Crozier (HPCS, 2010)

Optimal Utilization of Heterogeneous Resources for Biomolecular Simulations. - Scott S. Hampton; Sadaf R. Alam; Paul S. Crozier; Pratul K. Agarwal (SC, 2010)

Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures. - Pratul K. Agarwal; Scott S. Hampton; Jeffrey D. Poznanovic; Arvind Ramanathan; Sadaf R. Alam; Paul S. Crozier (Concurr. Comput. Pract. Exp., 2013)