KMNitesh05

Ph.D. in Physical Chemistry. Science and Technology. Interfaces. Statistical Mechanics. Data Analysis.

Chemical Sciences Division, Oak Ridge National LaboratoryOak Ridge, Tennessee

Pinned Repositories

aimd_simulations_cp2k
Repository containing files required to perform AIMD simulations in CP2K
Language:Shell20
Alkane_Conformations_Dataset
Conformation Ensembles of Various Alkanes
0 1 00
ChemNetworks
This version is in active development
Language:C++0 0 00
CP2K_analysis_codes
Language:Jupyter Notebook10
CP2K_to_DEEPMDKIT
Language:Python00
GROMACS_tutorial
Language:Jupyter Notebook39 1 02
Network-Analysis-Ions-at-Interface
Language:Python10
persistent_homology_image_analysis
Language:Jupyter Notebook11
PointNet_Reg
Language:Jupyter Notebook10
Surface_fluctuations
Language:Python1 1 00

KMNitesh05's Repositories

KMNitesh05/GROMACS_tutorial
Language:Jupyter Notebook39 1 02
KMNitesh05/aimd_simulations_cp2k
Repository containing files required to perform AIMD simulations in CP2K
Language:Shell20
KMNitesh05/CP2K_analysis_codes
Language:Jupyter Notebook10
KMNitesh05/Network-Analysis-Ions-at-Interface
Language:Python10
KMNitesh05/persistent_homology_image_analysis
Language:Jupyter Notebook11
KMNitesh05/PointNet_Reg
Language:Jupyter Notebook10
KMNitesh05/Surface_fluctuations
Language:Python1 1 00
KMNitesh05/Alkane_Conformations_Dataset
Conformation Ensembles of Various Alkanes
0 1 00
KMNitesh05/ChemNetworks
This version is in active development
Language:C++0 0 00
KMNitesh05/CP2K_to_DEEPMDKIT
Language:Python00
KMNitesh05/graph_theory
Language:Jupyter Notebook00
KMNitesh05/GROMACS_Tutorial_Protein_Simulations
KMNitesh05/KMNitesh05
KMNitesh05/KMNitesh05.github.io
Config files for my GitHub profile.
Language:HTML
KMNitesh05/Network_Analysis_Ion_Graph
Language:Jupyter Notebook
KMNitesh05/Network_theory_tutorial
Language:Jupyter Notebook
KMNitesh05/OPENMM_tutorial
KMNitesh05/Polyhedra_Search_Using_PageRank
Language:R
KMNitesh05/water_community_dynamics