How to modify forcefield in Material Studio | DFT calculation | GULP

   • How to Modify Forcefield in Material Studi...  
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
#MaterialStudio #DFT #MolecularDynamics #ForceField #CASTEP #GULP #LAMMPS #ComputationalPhysics #QuantumChemistry #Simulation