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Related lectures (13)

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Molecular Dynamics Simulations: Force Fields and Parameterization

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

Quantum Diffusion in Liquids

Explores quantum diffusion in liquids, comparing RPMD with classical methods and analyzing the vibrational spectrum of liquid water.

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.

Ring Polymer Dynamics

Explores Ring Polymer Molecular Dynamics and Centroid Molecular Dynamics, approximating observables and correlations from quantum mechanics.

Untitled

Snow Melt Dynamics: Phases, Energy Balance, and Water Movement

Explores snowmelt phases, energy balance, water dynamics, and transport complexities in snow.

Molecular Dynamics Simulation: Trp-cage Miniprotein

Covers MD simulation of the Trp-cage miniprotein, focusing on implicit solvent modeling and practical analysis of simulation results.

Untitled

Ewald Summation: Long-range Interactions and Self-interaction Correction

Explores Ewald summation for long-range interactions and self-interaction correction in Fourier space and real space.

Activated Events: Molecular Simulations

Explores molecular simulations, enhanced sampling techniques, reaction coordinates, and rare event sampling methods in complex systems.