Quantum Mechanics | Computational Materials Science | Molecular Dynamics | Density Functional Theory | DFT Calculations | Forcefield Editing Tutorial | Material Studio Simulation
In this tutorial, I will guide you step-by-step on how to modify and customize forcefields in Material Studio for molecular dynamics (MD) simulations, Density Functional Theory (DFT) calculations, and energy minimization studies. Learn how to edit parameters, update potential functions, and optimize forcefields for GULP, CASTEP, and other computational methods.
📌 Topics Covered:
✔️ Introduction to forcefield modification
✔️ Editing Buckingham & Lennard-Jones potentials
✔️ Updating atomic interactions & parameter settings
✔️ Applying changes for simulations in CASTEP & GULP
✔️ Troubleshooting errors
Material Studio, Forcefield Editing, Molecular Dynamics, DFT, CASTEP, GULP, Computational Materials Science, Quantum Simulations, LAMMPS, Density Functional Theory, Simulation Tutorial
#materialstudio #dftcalculations #MolecularDynamics #ForceField #CASTEP #GULP #LAMMPS #computationalphysics #quantumchemistry #simulation
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