Multi-scale Simulations Research Group
Multi-scale Simulations Research Group
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Aditya Dilip Lele
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Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data
Modelling the effect of surface charging on plasma synthesis of ammonia using DFT
A stable atmospheric-pressure plasma for extreme-temperature synthesis
Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations
Depolymerization of plastics by means of electrified spatiotemporal heating
Surrogates for Biodiesel: Review and Challenges
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