相关论文: Perturbative Interpretation of Adaptive Thouless-A…
New techniques for evaluating the closed time path action for non-equilibrium quantum fields are presented. A derivative expansion is performed using a proper time kernel. Applications relevant to the scalar field theory of warm inflation…
Designing reaction pathways that maximize the production of a target compound in a given metabolic network is a fundamental problem in systems biology. In this study, we systematically explore the non-oxidative glycolysis metabolic network,…
The energy spectrum for the three dimensional Bose gas in Bose-Einstein Condensation phase is calculated with Modified Hartree-Fock-Bogoliubov theory, which is both conserving and gapless. From Improved $\Phi -$% derivable theory, the…
Artificial neural network (ANN) potentials enable the efficient large-scale atomistic modeling of complex materials with near first-principles accuracy. For molecular dynamics simulations, accurate energies and interatomic forces are a…
We consider thin plates whose energy density is a quadratic function of the difference between the second fundamental form of the deformed configuration and a "natural" curvature tensor. This tensor either denotes the second fundamental…
A Feynman-Jensen version of the thermal variational principle is applied to hot gauge fields, Abelian as well as non-Abelian: scalar electrodynamics (without scalar self-coupling) and the gluon plasma. The perturbatively known self-energies…
In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then…
In this paper, we discuss adaptive approximations of an elliptic eigenvalue optimization problem in a phase-field setting by a conforming finite element method. An adaptive algorithm is proposed and implemented in several two dimensional…
A variational model of pressure-dependent plasticity employing a time-incremental setting is introduced. A novel formulation of the dissipation potential allows one to construct the condensed energy in a variationally consistent manner. For…
Extensive Langevin dynamics simulations are used to characterize the adsorption transition of a flexible magnetic filament grafted onto an attractive planar surface. Our results identify different structural transitions at different ratios…
A thermo-mechanical continuum theory is proposed for dynamically loaded glassy polymers. The theory is based on an ansatz for the Helmholtz free energy where both the deviatoric and the volumetric contributions to the free energy are…
This article is concerned with the numerical solution of convex variational problems. More precisely, we develop an iterative minimisation technique which allows for the successive enrichment of an underlying discrete approximation space in…
The concept of available energy of a collisionless plasma is discussed in the context of magnetic confinement. The available energy quantifies how much of the plasma energy can be converted into fluctuations (including nonlinear ones) and…
We develop a resummed high-temperature expansion for lattice spin systems with long range interactions, in models where the free energy is not, in general, analytic. We establish uniqueness of the Gibbs state and exponential decay of the…
This paper presents an analytical and computational framework for optimizing gas withdrawal in reconstructed ring-type pipeline systems under unsteady flow conditions. As urban and industrial energy demands grow, repurposing existing…
We present a simple "Wald-like" formula for gravitational energy about a constant curvature background spacetime. The formula is derived following the Abbott-Deser-Tekin approach for the definition of conserved asymptotic charges in…
This manuscript discusses the extension of adaptive light field sampling with implicit radiance fields.
Temperature Accelerated Sliced Sampling (TASS) is an efficient method to compute high dimensional free energy landscapes. The original TASS method employs the Weighted Histogram Analysis Method (WHAM) which is an iterative post-processing…
Estimating thermal expectation values of observables is a fundamental task in quantum physics, quantum chemistry, and materials science. While recent quantum algorithms have enabled efficient quantum preparation of thermal states,…
Free energy perturbation (FEP) is frequently used to evaluate the free energy change of a biological process, e.g. the drug binding free energy or the ligand solvation free energy. Due to the sampling inefficiency, FEP is often employed…