As a theoretical and computational chemistry group, we are currently interested in understanding structure and dynamics of complex chemical, biophysical, and nano-scale systems. We use statistical mechanical theories and computer simulation methods to elucidate structure and dynamics of those systems. In particular, we are currently focusing our efforts on several research topics, including complex fluids, computational nano-optics, bio-physics, and single molecule dynamics. Our research involves formulating statistical models for molecular systems, developing efficient computer simulation methods, and performing molecular modeling studies.

Research Facilities

Intel Xeon E5-2620v4 (Total 894 Cores)
Intel Xeon E5-2630v2 (Total 144 Cores)
Intel Xeon E5-2620v3 (Total 192 Cores)
Intel Xeon Gold 6226R (Total 96 Cores)
24x NVIDIA RTX/GTX-series GPUs