Trending Research

Crystal Structure Generation with Autoregressive Large Language Modeling

lantunes/crystallm 10 Jul 2023

Quickly generating and predicting inorganic crystal structures is important for the discovery of new materials, which can target applications such as energy or electronic devices.

Materials Science

70
0.07 stars / hour

Digital Discovery of a Scientific Concept at the Core of Experimental Quantum Optics

artificial-scientist-lab/theseus 18 Oct 2022

Second, our manuscript demonstrates how artificial intelligence can act as a source of inspiration for the scientific discoveries of new actionable concepts in physics.

Quantum Physics

49
0.07 stars / hour

ViSNet: an equivariant geometry-enhanced graph neural network with vector-scalar interactive message passing for molecules

microsoft/AI2BMD 29 Oct 2022

Geometric deep learning has been revolutionizing the molecular modeling field.

Chemical Physics Biomolecules Quantum Physics

421
0.06 stars / hour

PyPSA: Python for Power System Analysis

PyPSA/PyPSA 31 Jul 2017

In this paper the basic functionality of PyPSA is described, including the formulation of the full power flow equations and the multi-period optimisation of operation and investment with linear power flow equations.

Physics and Society

1,278
0.03 stars / hour

doped: Python toolkit for robust and repeatable charged defect supercell calculations

smtg-ucl/doped 12 Mar 2024

Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials.

Materials Science Chemical Physics Computational Physics

148
0.03 stars / hour

Urban Mobility

mszell/geospatialdatascience 1 Nov 2022

In this chapter, we discuss urban mobility from a complexity science perspective.

Physics and Society Computers and Society

542
0.03 stars / hour

HepLean: Digitalising high energy physics

HEPLean/HepLean 14 May 2024

We introduce HepLean, an open-source project to digitalise definitions, theorems, proofs, and calculations in high energy physics using the interactive theorem prover Lean 4.

High Energy Physics - Phenomenology Logic in Computer Science High Energy Physics - Theory

82
0.03 stars / hour

Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks

virtualatoms/AnisoNet 13 May 2024

Anisotropy in crystals plays a pivotal role in many technological applications.

Materials Science

10
0.03 stars / hour

Hybrid quantum programming with PennyLane Lightning on HPC platforms

PennyLaneAI/pennylane-lightning 4 Mar 2024

We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads.

Quantum Physics Distributed, Parallel, and Cluster Computing Emerging Technologies Computational Physics

98
0.02 stars / hour

Towards an exact electronic quantum many-body treatment of Kondo correlation in magnetic impurities

block-hczhai/block2-preview 29 May 2024

The Kondo effect is a prototypical quantum phenomenon arising from the interaction between localized electrons in a magnetic impurity and itinerant electrons in a metallic host.

Strongly Correlated Electrons Materials Science Chemical Physics Computational Physics

70
0.02 stars / hour