Advancing density functional theory to finite temperatures: methods and applications in steel design

T Hickel, B Grabowski, F Körmann… - Journal of Physics …, 2011 - iopscience.iop.org
The performance of materials such as steels, their high strength and formability, is based on
an impressive variety of competing mechanisms on the microscopic/atomic scale (eg …

Bridging lattice-scale physics and continuum field theory with quantum Monte Carlo simulations

RK Kaul, RG Melko, AW Sandvik - Annu. Rev. Condens. Matter …, 2013 - annualreviews.org
We discuss designer Hamiltonians—lattice models tailored to be free from sign problems
(“de-signed”) when simulated with quantum Monte Carlo (QMC) methods but which still host …

Quantum critical points and the sign problem

R Mondaini, S Tarat, RT Scalettar - Science, 2022 - science.org
The “sign problem”(SP) is a fundamental limitation to simulations of strongly correlated
matter. It is often argued that the SP is not intrinsic to the physics of particular Hamiltonians …

Proximate deconfined quantum critical point in SrCu2(BO3)2

Y Cui, L Liu, H Lin, KH Wu, W Hong, X Liu, C Li, Z Hu… - Science, 2023 - science.org
The deconfined quantum critical point (DQCP) represents a paradigm shift in quantum
matter studies, presenting a “beyond Landau” scenario for order-order transitions. Its …

Computational studies of quantum spin systems

AW Sandvik - AIP Conference Proceedings, 2010 - pubs.aip.org
These lecture notes introduce quantum spin systems and several computational methods for
studying their ground‐state and finite‐temperature properties. Symmetry‐breaking and …

Quantum Monte Carlo with directed loops

OF Syljuåsen, AW Sandvik - Physical Review E, 2002 - APS
We introduce the concept of directed loops in stochastic series expansion and path-integral
quantum Monte Carlo methods. Using the detailed balance rules for directed loops, we …

The loop algorithm

HG Evertz - Advances in Physics, 2003 - Taylor & Francis
A review of the loop algorithm, its generalizations, and its relation to some other Monte Carlo
techniques is given. The loop algorithm is a quantum Monte Carlo procedure that employs …

Continuous Quantum Phase Transition between an Antiferromagnet and a Valence-Bond Solid<? format?> in Two Dimensions: Evidence for Logarithmic Corrections …

AW Sandvik - Physical review letters, 2010 - APS
The antiferromagnetic to valence-bond-solid phase transition in the two-dimensional JQ
model (an S= 1/2 Heisenberg model with four-spin interactions) is studied using large-scale …

Antiferromagnetic to valence-bond-solid transitions in two-dimensional Heisenberg models with multispin interactions

J Lou, AW Sandvik, N Kawashima - Physical Review B—Condensed Matter …, 2009 - APS
We study two-dimensional Heisenberg antiferromagnets with additional multispin
interactions which can drive the system into a valence-bond-solid state. For standard SU (2) …

Easing the Monte Carlo sign problem

D Hangleiter, I Roth, D Nagaj, J Eisert - Science advances, 2020 - science.org
Quantum Monte Carlo (QMC) methods are the gold standard for studying equilibrium
properties of quantum many-body systems. However, in many interesting situations, QMC …