Related papers: Ground-State Probabilistic Logic with the Simplest…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
The potential energy landscape (PEL) formalism is a tool within statistical mechanics that has been used in the past to calculate the equation of states (EOS) of classical rigid model liquids at low temperatures, where computer simulations…
We develop a general framework to calculate the many-body density of states (DOS) of isolated and interacting quantum systems. Based on the generalized coherent state formalism and the Simon-Lieb bounds for a quantum partition function, our…
Probabilistic graphical models are powerful mathematical formalisms for machine learning and reasoning under uncertainty that are widely used for cognitive computing. However they cannot be employed efficiently for large problems (with…
More accurate, spatio-temporally, and physically consistent LST estimation has been a main interest in Earth system research. Developing physics-driven mechanism models and data-driven machine learning (ML) models are two major paradigms…
Spherically-symmetric atom-centered descriptors of atomic environments have been widely used for constructing potential or free energy surfaces of atomistic and colloidal systems and to characterize local structures using machine learning…
Interactions between crawling cells, which are essential for many biological processes, can be quantified by measuring cell-cell collisions. Conventionally, experiments of cell-cell collisions are conducted on two-dimensional flat…
We study the dynamics of a mean-field Ising model whose coupling depends on the magnetization via a linear feedback function. A key feature of this linear feedback Ising model (FIM) is the possibility of temperature-induced bistability,…
The organization of live cells into tissues and their subsequent biological function involves inter-cell mechanical interactions, which are mediated by their elastic environment. To model this interaction, we consider cells as spherical…
Understanding the behaviour of biological systems requires a complex setting of in vitro and in vivo experiments, which attracts high costs in terms of time and resources. The use of mathematical models allows researchers to perform…
Bayesian probabilistic programming languages (BPPLs) let users denote statistical models as code while the interpreter infers the posterior distribution. The semantics of BPPLs are usually mathematically complex and unable to reason about…
Generalized Ising models, also known as cluster expansions, are an important tool in many areas of condensed-matter physics and materials science, as they are often used in the study of lattice thermodynamics, solid-solid phase transitions,…
A perturbative model is studied for the tunneling of many-particle states from the ground band to the first excited energy band, mimicking Landau-Zener decay for ultracold, spinless atoms in quasi-one dimensional optical lattices subjected…
Ultracold polar molecules in multilayered systems have been experimentally realized very recently. While experiments study these systems almost exclusively through their chemical reactivity, the outlook for creating and manipulating exotic…
Several cellular activities, such as directed cell migration, are coordinated by an intricate network of biochemical reactions which lead to a polarised state of the cell, in which cellular symmetry is broken, causing the cell to have a…
We present an isotropic ab initio (para-H$_2$)$_4$ four-body interaction potential energy surface (PES). The electronic structure calculations are performed at the correlated coupled-cluster theory level, with single, double, and…
A random-field Ising model that is capable of exhibiting a rich variety of multicritical phenomena, as well as a smearing of such behavior, is investigated. The model consists of an infinite-range-interaction Ising ferromagnet in the…
The Many-Body Expansion (MBE) is a useful tool to simulate condensed phase chemical systems, often avoiding the steep computational cost of usual electronic structure methods. However, it often requires higher than 2-body terms to achieve…
We propose a self-consistent scheme for the determination of the ground-state (GS) properties of interacting electrons in a magnetic field, and of systems whose GS's time-reversal-symmetry (TRS) is spontaneously broken. It is based on a…
Within the scenario of the potential energy landscape (PEL), a thermodynamic model has been developed to uncover the physics behind the Angell plot. In our model, by separating the barrier distribution in PELs into a Gaussian-like and a…