RESEARCH

Three thrusts.

Computational science across ML-driven electrochemistry, multiscale soft-actuator mechanics, and granular thermal transport for fusion. The same multi-scale, ML-bridged signature in each.

visualization forthcoming

01 · Postdoc, LANL T-1 · 2024–present

ML-Driven Electrochemistry @ Los Alamos

Charge-aware ML potentials and ESM-RISM DFT at LANL T-1 — closing the gap between atomic simulation and electrochemical voltage.

PyTorchHIPPYNNQuantum ESPRESSOESM-RISMSoft-FQEqVASPLAMMPSParsl
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Light-responsive liquid-crystal actuator morphing from flat to calla-lily cone shape

02 · Ph.D., IIT Madras · 2017–2024

Multiscale Materials @ IIT Madras

Custom FORTRAN FEM + LAMMPS MD for light-responsive liquid-crystal actuators — 13 publications, Best PhD Thesis Award, adopted by groups in three countries.

FORTRANAbaqusLAMMPSPythonMATLABPCFFFEMDEM
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Granular pebble bed thermal transport simulation for fusion breeder blanket

03 · Pre-doctoral, KIT · 2017 (DAAD-WISE Fellow)

Granular Thermal Transport @ KIT

DEM–ANN–FEM hierarchical thermal modeling for fusion breeder pebble beds — 34% ETC spatial variation found in first full-unit simulation of ~12 million particles.

MATLABDEMFEMANNPythonThermal Resistor Network
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