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Related lectures (31)

Molecular Dynamics Simulations: Force Fields and Parameterization Log in to Mediaspace to watch this video

Explores molecular dynamics simulations, emphasizing force fields, water models, and parameterization methods.

Molecular Dynamics Basics Log in to Mediaspace to watch this video

Covers the fundamentals of Molecular Dynamics, including the Ergodic Hypothesis, force fields, and periodic boundary conditions.

Classical Molecular Dynamics Simulations Log in to Mediaspace to watch this video

Covers classical force fields, molecular dynamics simulations, and supramolecular properties, including intramolecular and intermolecular interactions.

Interatomic Potentials: LJ and EAM Log in to Mediaspace to watch this video

Explores LJ and EAM interatomic potentials, fitting to material properties and challenges in empirical potential fitting.

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Atomic-Scale Modeling: Introduction & Hands-On Log in to Mediaspace to watch this video

Offers a hands-on introduction to atomic-scale modeling through Jupyter notebooks, focusing on fundamental materials science concepts.

Atomistic Computer Modelling of Materials: Simulating and Sampling Log in to Mediaspace to watch this video

Covers simulating and sampling in atomistic computer modelling of materials.

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Neural Quantum States: Applications and Challenges Log in to Mediaspace to watch this video

Explores the applications and challenges of Neural Quantum States in computational quantum science, including frustrated spins and quantum chemistry mappings.

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Hartree-Fock Equations: HeH+ Implementation Log in to Mediaspace to watch this video

Covers the implementation of Hartree-Fock equations for HeH+ molecule, including theory, terms, orbitals, and self-consistent field calculation.

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