Related papers: Fundamental measure theory for predicting many-bod…
The transverse momentum-dependent fragmentation functions (TMD FFs) of heavy (bottom and charm) quarks, which we recently introduced, are universal building blocks that enter predictions for a large number of observables involving…
Hydrogen bonding is an important non-covalent interaction that plays a major role in molecular self-organization and supramolecular structures. It can be described accurately with ab initio quantum chemical wave function methods, which…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…
We propose a machine learning framework based on Flow Matching (FM) to identify critical properties in many-body systems efficiently. Using the 2D XY model as a benchmark, we demonstrate that a single network, trained only on configurations…
Quantum correlations are at the core of quantum mechanics and play a crucial role in various fields. While bipartite quantum correlations have been extensively studied, multipartite quantum correlations in many-body systems remain elusive…
The strong-property-fluctuation theory (SPFT) provides a general framework for estimating the constitutive parameters of a homogenized composite material (HCM). We developed the elastodynamic SPFT for orthotropic HCMs, in order to undertake…
Quantum simulators hold enormous promise for advancing the modelling of materials and understanding emergent physics, such as high temperature superconductivity and topological order. While correlation functions are, typically,…
Complex systems are composed of mutually interacting components and the output values of these components are usually long-range cross-correlated. We propose a method to characterize the joint multifractal nature of such long-range cross…
Quantum entanglement, crucial for understanding quantum many-body systems and quantum gravity, is commonly assessed through various measures such as von Neumann entropy, mutual information, and entanglement contour, each with its inherent…
Approximate expressions for correlation functions in binary inhomogeneous mixtures are derived in a framework of the mesoscopic theory [Ciach A., Mol. Phys., 2011, {\textbf{109}}, 1101]. Fluctuation contribution is taken into account in a…
Computer simulations play an important role in scientific discovery and engineering innovation. Reliable computer models enable virtual experimentation that reduces the need for costly and time-consuming physical testing. However, the…
Medium effects on charged-particle production are studied using three analysis techniques. We find angular collinearity and number correlations on $p_t$ at moderate $p_t<3$ GeV/$c$. In this $p_t$ range abundant multiplicities enable…
A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas,…
We show that the glass transition predicted by the Mode-Coupling Theory (MCT) is a critical phenomenon with a diverging length and time scale associated to the cooperativity of the dynamics. We obtain the scaling exponents nu and z that…
A monte carlo density functional theory is developed for chain molecules which both intra and intermolecularly associate. The approach can be applied over a range of chain lengths. The theory is validated for the case of an associating…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…
We calculate the finite temperature three-point correlation function for primary fields in a 2D conformal field theory in momentum space. This result has applications to any strongly coupled field theory with a 2D CFT dual, as well as to…
Using the gauge/gravity correspondence, we study the properties of 2-point correlation functions of finite-temperature strongly coupled gauge field theories, defined on a curved space of general spatial topology with a dual black hole…
In the present work we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach…