Related papers: A many-body term improves the accuracy of effectiv…
Power-law interactions play a key role in a large variety of physical systems. In the presence of disorder, these systems may undergo many-body localization for a sufficiently large disorder. Within the many-body localized phase the system…
We calculate the two, three, four, and five-body (state independent) effective potentials between the centers of mass (CM) of self avoiding walk polymers by Monte-Carlo simulations. For full overlap, these coarse-grained n-body interactions…
The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water…
Thermodynamics of quantum systems and quantum thermal machines are rapidly developing fields, which have already delivered several promising results, as well as raised many intriguing questions. Many-body quantum machines present new…
We test the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. As a simple example we study Met-enkephalin. The lowest-energy conformation obtained agrees with that determined by…
In this work we explore the performance of a recently derived many-body effective energy theory for the calculation of photoemission spectra in the regime of strong electron correlation. We apply the theory to paramagnetic MnO, FeO, CoO,…
Over the last decade, new developments in Similarity Renormalization Group techniques and nuclear many-body methods have dramatically increased the capabilities of ab initio nuclear structure and reaction theory. Ground and excited-state…
Neutrino flavor evolution in dense astrophysical environments is inherently nonlinear and sensitive to many-body (MB) quantum effects beyond the mean-field (MF) approximation. Existing MB studies are constrained by small system sizes,…
An efficient numerical method is developed using the matrix product formalism for computing the properties at finite energy densities in one-dimensional (1D) many-body localized (MBL) systems. Arguing that any efficient (possibly quantum)…
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…
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…
We numerically investigate the effect of coupling a two-dimensional many-body localized system to a finite heat bath, using shallow quantum circuits as a variational ansatz. Specifically, we simulate optical lattice experiments with two…
Quantum information theory has considerably helped in the understanding of quantum many-body systems. The role of quantum correlations and in particular, bipartite entanglement, has become crucial to characterise, classify and simulate…
Here we study the effects of many-body interactions on rate and mechanism in protein folding, using the results of molecular dynamics simulations on numerous coarse-grained C-alpha-model single-domain proteins. After adding three-body…
Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time scales are involved. Here, we introduce a machine learning…
Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…
We show that the thermodynamic limit of a many-body system can reveal entanglement properties that are hard to detect in finite-size systems -- similar to how phase transitions only sharply emerge in the thermodynamic limit. The resulting…
Recognition of pathogens relies on families of proteins showing great diversity. Here we construct maximum entropy models of the sequence repertoire, building on recent experiments that provide a nearly exhaustive sampling of the IgM…
The present thesis aims at studying the properties of symmetric nuclear and pure neutron matter from a Green's functions point of view, including two-body and three-body chiral forces. An extended self-consistent Green's function formalism…
Quantum many-body theory has witnessed tremendous progress in various fields, ranging from atomic and solid-state physics to quantum chemistry and nuclear structure. Due to the inherent computational burden linked to the ab initio treatment…