We are a theoretical and computational group interested in understanding structure and dynamics of complex systems using classical statistical mechanics and electronic structure methods. Our research program has an equal emphasis on development of new simulation methods and application of existing/new methods to important problems in chemistry, molecular biophysics, bioinorganic chemistry and soft matter systems.
Our study employs MD simulations to investigate how peptide sequences and external factors influence assembly, leading to diverse nanostructures.
Understanding the orientational behavior of particles in the self-assembled crystal of hard polyhedra and correlation of shape attributes with the thermodynamic phases.
Understanding molecular mechanism of biological copper trafficking. We study the copper ion transfer mechanism between a pair proteins and the role of protein motions on the preorganization of the reaction center as well as second sphere effect on the electronic rearrangement accompanying the chemical reaction.
The primary objective is to venture new enhanced rare event sampling approaches to handle the complex hierarchical assembly to understand microscopic pictures and morphological arrangements of different interactions in the self-assembly process and endeavor the emergent phenomena from rare fluctuations.
We are looking for PhD students with background in chemistry, physics, materials science and chemical engineering for our research projects in soft matter science. The work will involve understanding mechanisms of complex molecular and colloidal self-assemblies, phase transitions in colloidal systems and development of novel algorithms. Please send me an email with your CV research interests. Candidates must have their own fellowship through CSIR/UGC NET, DST-INSPIRE
If you are interested in a postdoctoral positions in our group please contact me directly. Candidates with backgrounds in theoretical/computational chemistry, condensed matter/statistical/computational physics are particularly encouraged to apply.
