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Hemanadhan Myneni - Research Specialist

Hemanadhan Myneni

–

School of Engineering and Natural Sciences

Hemanadhan Myneni

Research Specialist

Location
Gróska / Gr-316
Email
myneni [at] hi.is

Unit
Computer Science
Website
https://sites.google.com/view/hemanadhan-myneni/home

Published works

2024

Analysing the self-assembly modes in chiral multi-component gels based on donor and acceptor moietiesSupramolecular Chemistry

2023

Vertical Axis Wind Turbine Powers Telecom Towers
Deciphering the dynamics of distorted turbulent flowsPhysics of Fluids
Lattice Boltzmann Method Speedup via Computing Accelerating Compiler and Parallel Computing: Flow over Cylinder with High Reynolds

2022

Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole ExpansionJournal of Physical Chemistry B

2021

Chemical bonding theories as guides for self-interaction corrected solutionsJournal of Chemical Physics
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solidsJournal of Chemical Physics

2019

Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solidsPhysical Chemistry Chemical Physics
Long-range screened hybrid-functional theory satisfying the local-density linear responsePhysical Review A
Stretched or noded orbital densities and self-interaction correction in density functional theoryJournal of Chemical Physics

2018

On the many-electron self-interaction error of the semilocal exchange hole based meta-GGA level range-separated hybrid with the B88 hybridsChemical Physics Letters

2017

On the calculation of Δ〈Sˆ²〉 for electronic excitations in time-dependent density-functional theoryComputer Physics Communications

2016

Better band gaps with asymptotically corrected local exchange potentialsPhysical Review B
Energy Functionals for Excited States

2014

Excitation energies of molecules within time-independent density functional theory
Testing an excited-state energy density functional and the associated potential with the ionization potential theoremJournal of Physics B: Atomic, Molecular and Optical Physics

2012

Response function analysis of excited-state kinetic energy functional constructed by splitting k-spaceEuropean Physical Journal D
Excited-state density functional theoryJournal of Physics: Conference Series

2010

Simple flash evaporator for making thin films of compoundsJournal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Is it possible to construct excited-state energy functionals by splitting k-space?Journal of Molecular Structure: THEOCHEM

Keywords for Specialisation:

Theoretical and computational chemistry

Quantum chemistry

Computer simulation of materials

Light–Matter Interaction

Quantum Computing

High-Performance Computing