The broad area of our research is theoretical and computational physical chemistry, and computational molecular biophysics.
Basically we try to use knowledge of physics/chemistry, and tools of computers and mathematics to understand complex systems (chemical reactions to biomolecular functions). We try to use state-of-the-art computational modeling techniques, and wherever the existing methods are not sufficient we try to build our own.
With the increasing computational power along with ongoing rapid development of efficient multi-scale modeling methodologies, computational chemistry/biology has become an indispensable tool that can complement experimental studies. Computer experiments (in silico) can provide a unique molecular perspective, quantitative prediction, rapid screening and microscopic control that can be difficult to achieve otherwise.
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