Matter Modeling
Hemanth Haridas's user avatar
Hemanth Haridas's user avatar
Hemanth Haridas's user avatar
Hemanth Haridas
  • Member for 11 months
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About

Currently a PhD student at Indian Institute of Technology Gandhinagar. I am working on MD simulations at solid liquid interfaces. Has an active interest in computational and theoretical chemistry.

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All Questions Answers
Score Newest
answer
8
Silica (α-cristobalite) water system generation
Feb 14
answer
8
Can AMBER be used for a molecular dynamics simulation of a Diels-Alder reaction?
Apr 19
answer
8
Duplicate structure in PDB format?
Apr 25
answer
8
Compute polarizability after each step of relaxed scan in Gaussian 16
May 25
answer
7
Unwrapping particle coordinates in MD simulations to remove effects of periodic boundary condition
Apr 27
answer
7
What factors could cause a calculation to run successfully on a laptop but encounter issues on an HPC system?
Jul 21
answer
7
Effect of temperature on Forcefield parameters in classical molecular dynamics simulations
Jul 28
question
7
Is there a way to automate generation of figures from Avogadro?
Aug 2
question
6
Which is better for binding energies: DFT-D3 or RI-MP2?
Aug 10
question
6
Frozen core Stability Calculations in G09?
Jun 30
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11
Why does Python ignore type hints?
9
How appropriate is it to post a tweet saying that I am looking for postdoc positions?
7
Can Electron Repulsion Integrals be negative?
6
basic Hartee-Fock program to compute the total energies and some properties of a molecule

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