Activated Events: Molecular Simulations

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Related lectures (30)

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Covers the essentials of life, energetic principles, and molecular interactions in biomolecules, focusing on noncovalent forces.

Supramolecular Chemistry: Host-Guest Interactions

Explores host-guest interactions in supramolecular chemistry, covering cyclodextrins, calixarenes, cucurbiturils, and molecular tweezers.

Scientific Computing in Neuroscience

Explores scientific computing in neuroscience, emphasizing the simulation of neurons and networks using tools like NEURON, NEST, and BRIAN.

Periodic Table and Stoichiometry

Covers the periodic table, atomic properties, isotopes, stoichiometry, and chemical reactions, explaining their relationships and principles.

Atomic-Scale Modeling: Introduction & Hands-On

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

Quasi-Stationary Distribution: Molecular Dynamics Modeling

Explores the quasi-stationary distribution approach in molecular dynamics modeling, covering Langevin dynamics, metastability, and kinetic Monte Carlo models.

Quantum Many-Body Dynamics: Artificial Neural Network Approach

Discusses simulating quantum many-body dynamics using artificial neural networks to overcome computational challenges and stabilize solutions.

Uncertainty Quantification for Coarse-Grained Molecular Dynamics

Delves into uncertainty quantification in molecular dynamics, focusing on aerospace materials, modeling decisions, and coarse-grained dynamics.

Path Integral Methods: Efficient Energy Estimators

Covers advanced path integral methods for deriving efficient energy estimators in molecular dynamics simulations.

Hybrid QM/MM Approaches

Covers Hybrid QM/MM Approaches, explaining system partitioning, MM potential forms, and practical QM/MM implementation.