Venkat Kapil

Assistant Professor (Lecturer) at UCL

London, England, United Kingdom
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Summary

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Venkat Kapil is an Assistant Professor and computational materials scientist with 11 years of experience developing bottom-up simulation methods that deliver quantum-mechanical accuracy for bulk and nanoconfined systems. Trained at IIT Kanpur and EPFL and forged during postdoctoral work at Cambridge, he integrates path-integral quantum statistics, correlated electronic-structure methods, and machine-learning potentials to make predictive, computationally affordable tools for crystal structure prediction, quantum vibrational spectra, and phase diagrams. He has been a core developer of the open i-PI framework, translating advanced algorithms into software used worldwide to capture nuclear quantum effects in light-atom systems. Based in London, Venkat combines deep theoretical rigor with practical code development, and his work uniquely quantifies nanoscale behaviors that experiments cannot yet resolve.
code11 years of coding experience
job5 years of employment as a software developer
bookIndian Institute of Technology Kanpur
bookDoctor of Philosophy - PhD, Materials Science, Doctor of Philosophy - PhD, Materials Science at École polytechnique fédérale de Lausanne
languagesHindi, English
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Stackoverflow

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Github Skills (11)

lammps10
simulation10
message-passing10
machine-learning9
input-parameters7
stochastic4
pythonic4
modeling2
jekyll-theme2
python2
neural-network1

Programming languages (4)

C++TeXJupyter NotebookPython

Github contributions (5)

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lab-cosmo/pimd-tutorial

Jun 2016 - Jun 2018

Inputs and hand-outs for a PIMD tutorial based on i-PI
Contributions:17 commits, 13 pushes, 1 branch in 2 years
venkatkapil24/i-pi

May 2024 - May 2026

i-PI: a universal force engine
Contributions:1 PR, 69 pushes, 10 branches in 2 years
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