Dr. Naveen Kumar Kaliannan
NaveenKaliannan
Software Developer@München & Computational Chemist @DCM-Uni-Paderborn
Languages
Repos
14
Stars
47
Forks
15
Top Language
C++
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A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
This program computes the molecular dipole moment and polarisability for ionic aqueous solutions.
Program for comparing the error and time performances of the floating point summation methods (Normal, Pairwise and Kahan summations) for the given datasets.
A model for the simulation of amorphous silica
This repository shows the various tools required to develop high-quality software.
Repositories
14This repository shows the various tools required to develop high-quality software.
No description provided.
A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
This program computes the molecular dipole moment and polarisability for ionic aqueous solutions.
HB strength predicted using supervised learning models (neural network, regression, nearest neighbour)
Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
Program for comparing the error and time performances of the floating point summation methods (Normal, Pairwise and Kahan summations) for the given datasets.
This program finds you a suitable positions in JOBWARE website for given keywords
A program to solve the logical reasoning using Neural Network
No description provided.
A matlab implementation of density functional theory, for demonstrative purpose
A model for the simulation of amorphous silica
No description provided.
Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, Molpro program.