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#28 Input Script for LAMMPS | Part 3 | Foundations of Computational MaterialsModelling

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Oct 11, 2022
35:45

Welcome to 'Foundations of Computational Materials Modelling' course ! Mastering temperature and pressure control in MD simulations! This lecture explores the powerful "fix" command in LAMMPS, specifically for implementing the Nosé-Hoover thermostat and barostat. Learn how to control temperature and pressure in your simulations and achieve realistic conditions for your materials. NPTEL Courses permit certifications that can be used for Course Credits in Indian Universities as per the UGC and AICTE notifications. To understand various certification options for this course, please visit https://nptel.ac.in/courses/112106289 #LAMMPS #FixCommand #NoséHooverThermostat #Barostat

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#28 Input Script for LAMMPS | Part 3 | Foundations of Computational MaterialsModelling | NatokHD