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Indian Institute of Technology Bombay
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Publications (9)
- Fewest Switches Surface Hopping with Decoherence in the Marcus Inverted Regime: Correct Rates but Wrong Thermal Populations Save
- Machine Learned Potential Enables Molecular Dynamics Simulation to Predict the Experimental Branching Ratios in the NO Release Channel of Nitroaromatic Compounds Save
- Exciton energy transfer inside cavity—A benchmark study of polaritonic dynamics using the surface hopping method Save
- Electronic energy transfer in molecular wire: Coherences in the presence of anharmonicity Save
- Can classical mechanics sense conical intersection? Save
- Metal-Induced Fast Vibrational Energy Relaxation: Quantum Nuclear Effects Captured in Diabatic Independent Electron Surface Hopping (IESH-D) Method Save
- An efficient decoherence scheme for fewest switches surface hopping method Save
- Pedagogical Overview of the Fewest Switches Surface Hopping Method Save
- Coherence and Efficient Energy Transfer in Molecular Wires: Insights from Surface Hopping Simulations Save