Introduction to Materials Studio Software for the Atomistic-Scale Simulations
Uday Shankar, Rupam Gogoi, Sushanta K. Sethi, Akarsh Verma
Topics & Concepts
Molecular dynamicsAmorphous solidSimulated annealingMaterials scienceAdsorptionMoleculePeriodic boundary conditionsComputational scienceComputer scienceStatistical physicsCrystallographyBoundary value problemComputational chemistryAlgorithmPhysical chemistryChemistryPhysicsOrganic chemistryQuantum mechanicsPolymer crystallization and propertiesMachine Learning in Materials ScienceBlock Copolymer Self-Assembly