Embedded Files
Machine Learning in Materials
Machine Learning in Materials
Machine Learned Interatomic Potentials Development
ML-Powered Coarse-Grained Simulations
Multimodal ML model for Materials Discovery
Combustion Fuels
Combustion Fuels
Exascale Simulations of Rocket Fuels
Impact of Shock Wave on Fuel Droplets
Behaviour at Supercritical Temperatures
Electrochemical Energy Storage Systems
Electrochemical Energy Storage Systems
Electrode-electrolyte Interfaces
Polymer electrolyte systems
Aqueous Electrolytes
Liquid Electrolytes
Electrocatalysis
Electrocatalysis
Role of Cations on Reaction Kinetics
Molecular Dynamics Investigation
Reaction Modulation using Water Network
Reactions Investigated: CO2RR, HER, HOR
(Bio)-Molecular Electronics
(Bio)-Molecular Electronics
DNA/RNA Charge Transport
Machine Learning of DNA Conductance
DNA-Drug Intercalation
Multiscale Methodology using Molecular Dynamics, Density Functional Theory, Kinetic Monte Carlo and Machine Learning
Protein-Protein Interactions
Protein-Protein Interactions
SARS-CoV-2 Spike Protein Interaction with Human ACE2
Effect of Mutations of SARS-CoV-2 Transmissibility
Extensive MD simulations
Free energy sampling simulations,
Page updated
Google Sites
Report abuse