About Me
A computational chemist advancing the frontiers of molecular and material science through cutting-edge simulations and high-performance computing. My research delves into the development of electronic structure visualization tools, quantum crystallography, simulations of ultrafast spectroscopy observables, excited-state dynamics, and the intricate photochemistry of molecular systems and quantum dots.
I earned my PhD from Texas Christian University in December 2020 with a dissertation titled “A Computational Toolkit for Understanding Orbital Overlap and Chemical Reactivity” supervised by Prof. Benjamin G. Janesko. Subsequently, in January 2021, I joined the research group of Prof. Benjamin G. Levine as a Postdoctoral Associate at Stony Brook University Department of Chemistry and the Institute for Advanced Computational Science (IACS). During my tenure, I specialized in simulating ultrafast spectroscopy observable utilizing GPU-accelerated electronic structure methods, exploring excited-state dynamics, and investigating the photochemistry of molecules and quantum dots.
I am currently working as a Senior Research Scientist in the Division of Information Technology (DoIT) - Research Computing, Informatics & Innovation, and the Institute for Advanced Computational Science (IACS) at Stony Brook University.
Educational Experience
- M.Sc in Physical Chemistry, The Islamia University of Bahawalpur, Pakistan, 2007 - 2009
- M.Phil in Physical Chemistry, The Islamia University of Bahawalpur, Pakistan, 2009 - 2011
- Ph.D in Computational Chemistry, Texas Christian University, Texas, USA, 2015 - 2020
Professional Experience
- Lecturer of Chemistry (Visiting), The Islamia University of Bahawalpur, Pakistan, 2009 - 2011
- Lecturer of Chemistry, GC University Lahore, Pakistan, 2012 - 2015
- Postdoctoral Associate, Stony Brook University, Stony Brook, NY, 2021 - 2024
Overview of Research and Expertise
The understanding of excited state processes and material defects is a key driver of human innovation and sustainable synthesis. My research focuses on simulating ultrafast spectroscopy observables and photochemical reactions to elucidate the complex dynamics of molecules in their excited states. Additionally, I investigate the role of defects in materials to harness their unique properties for technological advancements. My expertise in developing electronic structure visualization tools and quantum crystallography further enhances our ability to model and interpret complex molecular and material behaviors. These efforts not only deepen our fundamental scientific knowledge but also pave the way for breakthroughs in energy efficiency, material science, and computational methodologies, driving forward innovation and sustainability.
Broadly, my research covers the areas of:
- Simulations of ultrafast spectroscopy and photochemistry of molecules and quantum dots
- Modeling defects in materials and their applications
- Development of electronic structure visualization tools to interpret chemical reactivity
- GPU-accelerated electronic structure calculations
- Quantum crystallography and charge density analysis
Click on the Research tab to read more.