Algorithms

Materials Science Research Group


Our resesarch in magnetism, electrochemistry, and computational biology poses many problems that are characterized by a wide separation of timescales between microscopic scales (femtosecond to nanosecond) and macroscopic ones (milliseconds to millions of years). Developing simulation algorithms that can bridge these huge gaps between fast and slow timescales is one of the biggest challenges in computational science. As a result, successfull algorithms have potential applications for a wide range of applications in physical, chemical, biological, and social sciences. Among the algorithms developed in our group are the Monte Carlo with Absorbing Markov Chains (MCAMC) [M.A. Novotny, Physical Review Letters 75, 1424 (1995)] and the Projective Dynamics (PD) method [M. Kolesik, M.A. Novotny, and P.A. Rikvold, Physical Review Letters 80, 3384 (1998); International Journal of Modern Physics C 14, 121 (2003)]. These faster-than-real-time algorithms can speed up Monte Carlo simulations of processes with widely disparate timescales, such as magnetization switching, by many orders of magnitude without changing the details of the underlying, physical dynamics.





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