Photo of Chaudhuri, Santanu

Santanu Chaudhuri, PhD


Civil, Materials, and Environmental Engineering


Building & Room:

2077 ERF


842 West Taylor Street, MC 246, Chicago, IL 60607

Office Phone:

(312) 996-9066


Related Sites:


Research Interests

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

Selected Publications

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,