The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science.

Materials Science Disordered Systems and Neural Networks Mesoscale and Nanoscale Physics Computational Physics Quantum Physics

Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials.

Materials Science Computational Physics

We find the statistical distribution of the conductance and its dependence on electron density, magnetic field, and temperature.

Mesoscale and Nanoscale Physics Superconductivity

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples of a physical system's equilibrium density.

Statistical Mechanics

In an article written five years ago [arXiv:0809. 0522], we described a method for predicting which scientific papers will be highly cited in the future, even if they are currently not highly cited.

Physics and Society Digital Libraries Social and Information Networks

Second, we illustrate how to modify the objective function in machine learning algorithms to promote globally stable models, with implications for the modeling of fluid and plasma flows.

Fluid Dynamics Computational Physics Plasma Physics

Neural operators can learn nonlinear mappings between function spaces and offer a new simulation paradigm for real-time prediction of complex dynamics for realistic diverse applications as well as for system identification in science and engineering.

Computational Physics

The quantum approximate optimization algorithm (QAOA) is widely seen as a possible usage of noisy intermediate-scale quantum (NISQ) devices.

Quantum Physics

The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model to certain crystal types or makes it difficult to provide chemical insights.

Ranked #3 on Band Gap on Materials Project

Band Gap Formation Energy Materials Science

Numerical weather prediction has traditionally been based on physical models of the atmosphere.

Atmospheric and Oceanic Physics