Lecture
Molecular dynamics: Integrating Newton's equations
Related lectures (118)
Hierarchical Multi-scale Modeling of Molecular Systems
Explores the trends and challenges in modeling complex molecular systems using hierarchical multi-scale approaches, covering length-time scales, atomistic simulations, and force matching techniques.
Molecular Dynamics Simulations: Basics and Algorithms
Covers the basics of molecular dynamics simulations, ensemble properties, classical mechanics formulations, numerical integration, energy conservation, and constraint algorithms.
Non-linear dynamics
Explores practical applications in nonlinear dynamics, emphasizing symplectic integration methods and thin lens approximations for accurate computations in accelerator physics.
Canonical Transformations: Hamilton-Jacobi Equation
Explores canonical transformations, the Hamilton-Jacobi equation, symplectic groups, and differential equations in physics.
Crystallography: Unit Cells, Lattices, and Reciprocal Lattice
Introduces crystallography basics, covering unit cells, lattices, and reciprocal lattice concepts.
Hamilton-Jacobi Equation: Analytical Mechanics
Explores the Hamilton-Jacobi equation in analytical mechanics, focusing on eigenvalues, constants of motion, and system predictability.
QM/MM Simulation: Blue Moon Ensemble Theory
Explores QM/MM simulations using the Blue Moon ensemble theory, focusing on error analysis, ionic mass rescaling, stability comparison, and temperature control.
Dynamical Scattering: Electron Diffraction
Explores dynamical scattering in electron diffraction, discussing challenges in interpreting diffraction patterns and applications in crystal defect imaging and phase discrimination.
Symmetries of Newtonian Mechanics
Explores the symmetries of Newtonian Mechanics, Lagrangian mechanics, and the conservation of energy.
Atomistic Computer Modelling of Materials: Simulating and Sampling
Covers simulating and sampling in atomistic computer modelling of materials.