Müller-Brown Basin MA: Langevin Dynamics Simulation
Langevin dynamics simulation showing particle motion in the deep reactant minimum (Basin MA) of the Müller-Brown potential energy surface.
Pytorch
6 posts tagged with pytorch.
Müller-Brown Basin MB: Langevin Dynamics Simulation
Langevin dynamics simulation showing particle motion in the product minimum (Basin MB) of the Müller-Brown potential energy surface.
Müller-Brown Transition: Langevin Dynamics Simulation
Extended Langevin dynamics simulation showing particle transitions between different basins of the Müller-Brown potential energy surface.
Implementing the Müller-Brown Potential in PyTorch
A practical guide to implementing the Müller-Brown potential energy surface in PyTorch, comparing analytical derivatives with automatic …
Modern PyTorch Techniques for VAEs: A Tutorial
VAE tutorial using modern PyTorch: torch.distributions, optimization techniques, numerical stability, and implementation patterns.
Kabsch Algorithm: NumPy, PyTorch, TensorFlow, and JAX
Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX for ML applications.