Related papers: Towards ab initio calculations with the dynamical …
Dynamical mean-field theory allows access to the physics of strongly correlated materials with nontrivial orbital structure, but relies on the ability to solve auxiliary multi-orbital impurity problems. The most successful approaches to…
The accurate description of non-ideal quantum many-body systems is of prime importance for a host of applications within physics, quantum chemistry, material science, and related disciplines. At finite temperatures, the gold standard is…
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum…
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…
Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…
Many-body forces are sometimes a relevant ingredient in various fields, such as atomic, nuclear or hadronic physics. Their precise structure is generally difficult to uncover. So, phenomenological effective forces are often used in…
We analyze the accuracy and sample complexity of variational Monte Carlo approaches to simulate the dynamics of many-body quantum systems classically. By systematically studying the relevant stochastic estimators, we are able to: (i) prove…
The investigation of the dynamics of quantum many-body systems is a concerted effort involving computational studies of mathematical models and experimental studies of material samples. Some commonalities of the two tracks of investigation…
In this thesis we present new results relevant to two important problems in quantum information science: the development of a theory of entanglement and the exploration of the use of controlled quantum systems to the simulation of quantum…
We present a numerical method to simulate the dynamics of continuous-variable quantum many-body systems. Our approach is based on custom neural-network many-body quantum states. We focus on dynamics of two-dimensional quantum rotors and…
Current nonequilibrium Monte Carlo methods suffer from a dynamical sign problem that makes simulating real-time dynamics for long times exponentially hard. We propose a new `Inchworm Algorithm', based on iteratively reusing information…
In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to…
The auxiliary-field quantum Monte Carlo (AFQMC) method provides a computational framework for solving the time-independent Schroedinger equation in atoms, molecules, solids, and a variety of model systems by stochastic sampling. We…
Recent progress in quantum field theory and quantum gravity relies on mixed boundary conditions involving both normal and tangential derivatives of the quantized field. In particular, the occurrence of tangential derivatives in the boundary…
The term analytic continuation emerges in many branches of Mathematics, Physics, and, more generally, applied Science. Generally speaking, in many situations, given some amount of information that could arise from experimental or numerical…
We present real-time inchworm quantum Monte Carlo results for single-site dynamical mean field theory on an infinite coordination number Bethe lattice. Our numerically exact results are obtained on the L-shaped Keldysh contour and, being…
A brief survey of the author's works on the quantum theory of magnetism. Theoretical foundation and applications of the generalized spin-fermion (sp-d) exchange lattice model to various magnetic systems, e.g., rare-earth metals and…
Numerical simulation is an important non-perturbative tool to study quantum field theories defined in non-commutative spaces. In this contribution, a selection of results from Monte Carlo calculations for non-commutative models is…
The mean field approximation is numerically validated in the bosonic case by considering the time evolution of quantum states and their associated reduced density matrices by many-body Schr\"odinger dynamics. The model phase-space is…
The many-body dynamics of interacting electrons in condensed matter and quantum chemistry is often studied at the quasiparticle level, where the perturbative diagrammatic series is partially resummed. Based on Hedin's equations for…