Santanu Chaudhuri, PhD
Civil and Materials Engineering
Building & Room:
842 West Taylor Street, MC 246, Chicago, IL 60607
First-Principles Theory: Density functional theory (DFT) and ab initio calculation of dynamics and reactivity of clusters, bulk periodic solids and surfaces
Molecular Dynamics: Classical and First-Principles Molecular dynamics (MD) simulations including Car-Parrinello MD and non-equilibrium MD techniques.
Condensed Matter Theory: Study of structure, band-gap, reactivity, and excited state properties of surfaces and bulks solids with defects and various reactive environments
Multiscale Modeling: Multiscale modeling of materials using First principles linked kinetic Monte Carlo, finite element, fluid dynamics, and hybrid QM/MM simulations
For a complete list of published and submitted paper, visit the Accelerated Materials Research Laboratory.
Ph.D., Computational and Materials Chemistry
State University of New York, Stony Brook
B.S., Physics, Mathematics, Chemistry with Honors in Engineering Chemistry
S.A. Jaipuria College, Calcutta University, India,