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Name: Venkat Kapil
Type: User
Name: Venkat Kapil
Type: User
Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.
Structures, and scripts to reproduce the results of https://arxiv.org/abs/2102.13598
Unofficial template for the PhD thesis at EPFL maintained by PolyDoc
Repository containing data and code for finetuned models for ice polymorphs
i-PI: a universal force engine
Public development project of the LAMMPS MD software package
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
MIT Ph.D. Thesis in LaTeX
Dipole and polarizability models developed using the approach Kapil, V., Kovács, D. P., Csányi, G., & Michaelides, A. (2023). First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects. Faraday Discussions, 10.1039.D3FD00113J. https://doi.org/10.1039/D3FD00113J
n2p2 - A Neural Network Potential Package
Tracks a red object using a phone.
Inputs and hand-outs for a PIMD tutorial based on i-PI
Tutorials for the PIQM-2023 Advanced School
Scripts to set up the Quantum Mobile Virtual Machine
Stochastic Pythonic Structure Search (SPySS)
A collection of useful scripts
a 1D SCP code
Given the parameters of a Generalized Langevin Equation and the vibrational density of states predicts the velocity-velocity autcorrelation obtained by the dynamics. Conversely, given the velocity-velocity autocorrelation function removes the disturbance affected by the thermostat and returns the underlying vibrational density of states.
A beautiful, simple, clean, and responsive Jekyll theme for academics
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.