Name: AGR Group @ IISc Chemical Engineering
Type: User
Bio: We are the "Computational Nanotechnology for Energy and Water" research group in the Department of Chemical Engineering at the Indian Institute of Science
Twitter: ananthgr
Location: Bengaluru, India
Blog: https://agrgroup.org
AGR Group @ IISc Chemical Engineering's Projects
This repository outlines a kinetic model and a kinetic Monte Carlo simulation to describe the growth of a 2D polymer, also known as a covalent organic framework
Experimental and calculated small molecule hydration free energies
Machine learning applied to the formation of nanopores via silicon-catalyzed electron-beam etching in graphene
Fully Ab Initio Mechanism of Shape and Size Evolution During the Chemical Vapor Deposition of MoS2 Monolayers
Automated electrocatalytic mechanism enumeration for the oxygen evolution reaction
Poisson-Boltzmann theory of electrical double layers with van der Waals and soft repulsive interactions
A library of all possible stable nanopores in graphene, generated using Redelmeier's algorithm, that allows searching based on their geometrical properties