1.2k citations · 2.9k across the 50 of their papers we have counts for
49 papers
Effects of the surface on double surface Fermi arcs in a realistic tight-binding model of NaBi (100)
Vasilios K. Passias, Lucas K. Wagner
NaBi is a topological Dirac semimetal (TDSM) that can support double surface Fermi arcs (DSFAs), which are important for its material classification and their potential use in…
Registry-dependent potential energy and lattice corrugation of twisted bilayer graphene from quantum Monte Carlo
Kittithat Krongchon, Tawfiqur Rakib, Shivesh Pathak +3
An uncertainty in studying twisted bilayer graphene (TBG) is the minimum energy geometry, which strongly affects the electronic structure. The minimum energy geometry is determined…
Implication of the double-gating mode in hybrid photon counting detector for measurements of transient heat conduction in GaAs/AlAs superlattice structures
Denys Naumenko, Max Burian, Benedetta Marmiroli +9
Understanding and control of thermal transport in solids at nanoscale is crucial to engineer and to enhance properties of a new generation of optoelectronic, thermoelectric, and ph…
Renormalized density matrix downfolding: A rigorous framework in learning emergent models from ab initio many-body calculations
Yueqing Chang, Sonali Joshi, Lucas K. Wagner
We present a generalized framework, renormalized density matrix downfolding (RDMD), to derive systematically improvable, highly accurate, and nonperturbative effective models from…
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…
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…