21 citations · 38 across the 5 of their papers we have counts for
5 papers
Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting
Junjie Yang, Ning Zhang, Shunyue Yuan +3
We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted i…
Image Super-resolution Inspired Electron Density Prediction
Chenghan Li, Or Sharir, Shunyue Yuan +1
Drawing inspiration from the domain of image super-resolution, we view the electron density as a 3D grayscale image and use a convolutional residual network to transform a crude an…
PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF
William A. Wheeler, Shivesh Pathak, Kevin Kleiner +11
We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern…
Gauge Equivariant Neural Networks for 2+1D U(1) Gauge Theory Simulations in Hamiltonian Formulation
Di Luo, Shunyue Yuan, James Stokes +1
Gauge Theory plays a crucial role in many areas in science, including high energy physics, condensed matter physics and quantum information science. In quantum simulations of latti…
Quantification of electron correlation for approximate quantum calculations
Shunyue Yuan, Yueqing Chang, Lucas K. Wagner
State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schrödinger equation. By far the most c…