Multiple PhD positions are available immediately (Fall 2019) in the broadly-defined area of Theoretical and Computational Chemistry in the Shakib Theory Group at the Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark NJ, USA. 

Our group is driven to design and predict hybrid organics/inorganic porous materials for a variety of applications including photoelectronic energy conversion reactions, electronic energy storage and electrically-transduced chemical sensing. The students will apply electronic structure calculations and quantum dynamics methodologies to model electron and proton transfer in such systems. Furthermore, they will be trained to develope quantum dynamics methodologies for systems and reactions of interest. As such, they will master quantum dynamics theories and will be trained in translating these theories to computational programs in different languages such as Fortran, C++ and Python. Prior coding experience is desirable but not necessary.Within the team we have extensive experience with cluster and periodic electronic structure calculations, developing empirical force-fields and molecular dynamics simulations, developing mixed quantum-classical dynamics algorithms and simulation of photoinduced charge transfer phenomena. We are specially looking for motivated graduate students who are willing to explore new territories in materials science and quantum computing.

Interested individuals should send a Brief summary of their research interests and their CV to Dr. Farnaz A. Shakib at [email protected].