Related papers: Approaching a parameter-free metadynamics
We propose a re-formulation of the Einstein evolution equations that cleanly separates the conformal degrees of freedom and the non-conformal degrees of freedom with the latter satisfying a first order strongly hyperbolic system. The…
We explore a new action formulation of hyperfluids, fluids with intrinsic hypermomentum. Brown's Lagrangian for a relativistic perfect fluid is generalised by incorporating the degrees of freedom encoded in the hypermomentum tensor, namely…
The equations of motion for electromechanical systems are traced back to the fundamental Lagrangian of particles and electromagnetic fields, via the Darwin Lagrangian. When dissipative forces can be neglected the systems are conservative…
In this paper, we propose a new end-to-end methodology to optimize the energy performance and the comfort, air quality and hygiene of large buildings. A metamodel based on a Transformer network is introduced and trained using a dataset…
We address the problem of constructing accurate mathematical models of the dynamics of complex systems projected on a collective variable. To this aim we introduce a conceptually simple yet effective algorithm for estimating the parameters…
We devise automated workflows for the calculation of Helmholtz and Gibbs free energies and their temperature and pressure dependence and provide the corresponding computational tools. We employ non-equilibrium thermodynamics for evaluating…
A simple and effective approach to thermodynamics is suggested, which solves the major difficulties in the traditional presentation of the subject. The internal energy is introduced from the behavior of deformable bodies, whereas the…
A new geometric approach to systems with boundary energy flow is developed using infinite-dimensional Dirac structures within the Lagrangian formalism. This framework satisfies a list of consistency criteria with the geometric setting of…
The variational method is very important in mathematical and theoretical physics because it allows us to describe the natural systems by physical quantities independently from the frame of reference used. A global and statistical approach…
We address the problem of constructing accurate mathematical models of the dynamics of molecular systems projected on a collective variable. To this aim we introduce an algorithm optimizing the parameters of a standard or generalized…
A fully relativistically covariant formulation of the classical Maxwell electrodynamics of an arbitrarily-moving point charge is presented, purely in terms of gauge invariant potentials without entailing any gauge fixing. A new,…
The discovery of physical laws consistent with empirical observations lies at the heart of (applied) science and engineering. These laws typically take the form of nonlinear differential equations depending on parameters, dynamical systems…
Complex systems with many degrees of freedom are typically intractable, but some of their behaviors may admit simpler effective descriptions. The question of when such effective descriptions are possible remains open. The paradigmatic…
Thermodynamic formulas for investigating systems with density and/or temperature dependent particle masses are generally derived from the fundamental derivation equality of thermodynamics. Various problems in the previous treatments are…
We report a systematic and accurate approach for deriving the bulk free energy surface (FES), a function of temperature, polarization, and strain, from the first-principles density functional theory (DFT) of proper ferroelectrics. The core…
Controlling electromagnetic energy is essential for an efficient and sustainable society. A key requirement is concentrating magnetic energy in a desired volume of space in order to either extract the energy to produce work or store it.…
In this paper, we present a Lagrangian formalism for nonequilibrium thermodynamics. This formalism is an extension of the Hamilton principle in classical mechanics that allows the inclusion of irreversible phenomena in both discrete and…
Infrequent Metadynamics is a popular method to obtain the rates of long timescale processes from accelerated simulations. The inference procedure is based on rescaling the first-passage times of Metadynamics trajectories using a…
We give a detailed description of electrodynamics as an emergent theory from condensed-matter-like structures, not only {\it per se} but also as a warm-up for the study of the much more complex case of gravity. We will concentrate on two…
We present a novel framework for rigid body dynamics in ambient media, such as air or water, enabling accurate motion prediction of objects without requiring computational fluid dynamics simulations. Our method computes the added mass of…