Website: Král's Group Page
BSc and MSc, Czech Technical University, 1986; PhD, Academy of Sciences, Prague, 1995; NATO/Royal Society Fellow, University of Nottingham, 1996-1997; Postdoctoral Fellow, University of Toronto, 1997-1999, and Weizmann Institute of Science, 1999-2001; Visiting Scientist, Weizmann Institute of Science and Harvard University, 2001-2003; Research Associate, University of British Columbia, 2003-2004.
Research in our theory group is devoted to modeling of realistic nanosystems in close collaboration with experimentalists. We use quantum and classical (atomistic and coarse-grained) molecular dynamics (MD) simulations, Monte Carlo and other techniques to model molecular and nanoparticle self-assembly, storage, transport, delivery, and (bio)-activity. We also study electronic structures and transport properties of complex nanosystems. The calculations are performed on our multiprocessor and GPU clusters and on national supercomputers.
Molecular Transport and Machinery:
Historically, the group was involved in studies of molecular transport phenomena in nanotubes and modified graphene. We have been particularly active in nanofluidic studies related to molecular drag around nanoscale surfaces and molecular passage through ultrasmall nanopores. We pioneered the studies of nanopores in graphene, which are currently extensively studied experimentally. The group was also active in design of nanoscale machinery, such as propellers, motors, and rotors, which was extended to optically driven molecular motors (chromophores).
Office: 4238 SES, MC 111