C&EN

Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities

Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, U.K. Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, U.K. Department of Physics, ...
GitHub

LSTM and RNN Tutorial with Demo (with Stock/Bitcoin Time Series Prediction, Sentiment Analysis, Music Generation)

What is Deep Learning (DL)? "Deep Learning is a subfield of machine learning concerned with algorithms inspired by the structure and function of the brain called artificial neural networks." There are ...
Frontiers

Quantum image denoising: a framework via Boltzmann machines, QUBO, and quantum annealing

We investigate a framework for binary image denoising via restricted Boltzmann machines (RBMs) that introduces a denoising objective in quadratic unconstrained binary optimization (QUBO) form ...
Frontiers

Interpretable machine learning methods for predictions in systems biology from omics data

Machine learning has become a powerful tool for systems biologists, from diagnosing cancer to optimizing kinetic models and predicting the state, growth dynamics, or type of a cell. Potential ...
C&EN

DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution

The solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential—a key component of the quantum mechanical Hamiltonian. In recent ...