Deep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation

mzjb/deeph-pack 8 Apr 2021

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

0.20 stars / hour

The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

JARVIS-Materials-Design/jarvis-tools-notebooks 3 Jul 2020

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques.

Materials Science Computational Physics

0.04 stars / hour

TensorCircuit: a Quantum Software Framework for the NISQ Era

tencent-quantum-lab/tensorcircuit 20 May 2022

TensorCircuit is an open source quantum circuit simulator based on tensor network contraction, designed for speed, flexibility and code efficiency.

Quantum Physics Computational Physics

0.04 stars / hour

Investigating Quantum Approximate Optimization Algorithms under Bang-bang Protocols

google-research/google-research 27 May 2020

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

Quantum Physics

0.04 stars / hour

Symmetric projected entangled-pair states analysis of a phase transition in coupled spin-1/2 ladders

jurajHasik/peps-torch 13 Jun 2022

Infinite projected entangled-pair states (iPEPS) have been introduced to accurately describe many-body wave functions on two-dimensional lattices.

Strongly Correlated Electrons

0.03 stars / hour

Purely data-driven medium-range weather forecasting achieves comparable skill to physical models at similar resolution

ai4environment/WeatherBench 19 Aug 2020

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

Atmospheric and Oceanic Physics

0.03 stars / hour

A Grand Unification of Quantum Algorithms

ichuang/pyqsp 6 May 2021

Paralleling GSLW'19, we then employ QSVT to construct intuitive quantum algorithms for search, phase estimation, and Hamiltonian simulation, and also showcase algorithms for the eigenvalue threshold problem and matrix inversion.

Quantum Physics

0.03 stars / hour

Quantum Augmented Dual Attack

malb/lattice-estimator 27 May 2022

We present a quantum augmented variant of the dual lattice attack on the Learning with Errors (LWE) problem, using classical memory with quantum random access (QRACM).

Quantum Physics Cryptography and Security Data Structures and Algorithms

0.03 stars / hour

Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine-learning molecular dynamics simulations

brucefan1983/GPUMD 15 Jun 2022

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

0.03 stars / hour

Promoting global stability in data-driven models of quadratic nonlinear dynamics

dynamicslab/pysindy 5 May 2021

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

0.02 stars / hour