CASE STUDIES
- Modeling Mechanical and Structural Properties of Amorphous Silicon Carbide (aSiC) using MAPS and LAMMPS Plugin
- Molecular Modeling of Microporous Carbon Electrode Material
- Mechanical properties of rubber type systems predicted by DPD simulations
- Understanding drug and actives release through micelles by using mesoscopic simulations
- Lattice energies of small organic molecules using density functional theory
- Density functional study of CO chemisorption on Ni(111) surface
- Modeling and simulation of cross-linked polymers
- Mechanical properties and stability considerations for a skin-like protein
- DFT calculations of cohesive energies
- Modeling Critical Micelle Concentration of Anionic Surfactants QSPR Analysis within MAPS
- Influence of Nitrogen Doping on the Properties of GaAs Semiconductor using MAPS-Abinit Module
- Molecular Modeling of Raney Nickel Catalyst using Molecular Dynamics Simulations
- Prediction of thermodynamic properties of Water/ Phenol mixtures
- Elastic properties of pharmaceutical molecules using classical simulations
- Simulating the effect of different surfactants on stain removal from a cellulose surface
- Absorption of gases in porous media using Grand Canonical Monte Carlo simulations
- Conformational preferences and stereoelectronic effects in hydroxyproline
- Diffusion of small molecules in a polymer matrix: Polymer packaging materials prevent the diffusion of small molecules
- Prediction of absorption wavelengths using a combination of PM3 and QSPR modeling approaches
- Modeling catalytic effect of zeolite on alkane cracking using MAPS software platform
- Structural and electronic properties of silicon carbide
- Optimization and properties of BCC Fe and ηFe2C crystal structures using MAPS Abinit plugin
- Identification of a dimerization product of a pharmaceutically relevant organic molecule based on NMR chemical shifts calculation