Amber Jain

Assistant Professor

Room 326, Chemistry Bldg.
amberj@chem.iitb.ac.in
+91 22 2576 7180
Group Web Page

Educational Background:

PhD. : University of Wisconsin, Madison (USA)

Integrated Masters: Indian Institute of Technology Kanpur

Professional Experience:

Postdoctoral Fellow: University of Pennsylvania (USA)

Assistant Professor, IIT Bombay (March 2018 - )
Research Interest:

I am interested in developing and applying theoretical methods to simulate chemical dynamics. The dynamical interplay of entangled protons and electrons lies particularly close to my heart. Specifically, I am interested in:

1) Proton tunneling: Developing methods that can incorporate nuclear tunneling on the fly in simulations, and the application of such methods to proton tunneling through thin membranes.
2) Catalysis: Developing methods that can include the effects of metallic electrons on chemical reactions with the goal to simulate catalytic reactions.

Publications:
Benchmarking the Surface Hopping Method to Include Nuclear Quantum Effects
Sindhu, Aarti; Jain, Amber.
J. Chem. Theo. Comp. 2021, 17, 655-665.
Hierarchical equations of motion in the Libra software package
Temen, Story; Jain, Amber; Akimov, Alexey V.
Int J Quantum Chem. 2020;120:e26373.
Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra
Jain, Amber; Petit, Andrew S; Anna, Jessica M; Subotnik, Joseph E.
J. Phys. Chem. B, 2019, 123, 1602-1617
Vibrational Energy Relaxation: A Benchmark for Mixed Quantum–Classical Methods
Jain, Amber; Subotnik, Joseph E.;
J. Phys. Chem. A, 2018, 122 (1), 16–27
Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework.
Medders, Gregory R.; Alguire, Ethan C.; Jain, Amber; Subotnik, Joseph E.
J. Phys. Chem. A, 2017, 121, 1425-1434
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