Related papers: Continuum Free-Energy Computing
Fractional calculus has been used to describe physical systems with complexity. Here, we show that a fractional calculus approach can restore or include complexity in any physical systems that can be described by partial differential…
Scientific simulation leveraging high-performance computing (HPC) systems is crucial for modeling complex systems and phenomena in fields such as astrophysics, climate science, and fluid dynamics, generating massive datasets that often…
Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide range of biological phenomena from how cells send and receive…
Intrinsic spectrum that results from the coupling of spontaneous emission in a laser cavity, can determine the energy concentration and coherence of lasers, which is crucial for the optical high-precision measurement. Up to now, it is hard…
We present implementations of two physically-embedded computation-universal logical operations using a 2-bit logical unit composed of coupled quantum flux parametrons -- Josephson-junction superconducting circuits. To illustrate…
We uncover a finite-time dynamical phase transition in the thermal relaxation of a mean-field magnetic model. The phase transition manifests itself as a cusp singularity in the probability distribution of the magnetisation that forms at a…
An enduring challenge in computer science is reducing the runtime required to solve computational problems. Quantum computing has attracted significant attention due to its potential to deliver asymptotically faster solutions to certain…
Reliably reconstructing physical fields from sparse sensor data is a challenge that frequently arises in many scientific domains. In practice, the process generating the data often is not understood to sufficient accuracy. Therefore, there…
I give a quick overview of some of the theoretical background necessary for using modern non-equilibrium statistical physics to investigate the thermodynamics of computation. I first present some of the necessary concepts from information…
The linear programming (LP) approach is, together with value iteration and policy iteration, one of the three fundamental methods to solve optimal control problems in a dynamic programming setting. Despite its simple formulation,…
We study the quadratic regulator problem for linear control systems in Hilbert spaces, where the cost functional is in some sense unbounded. Our motivation comes from delay equations with the feedback part containing discrete delays or, in…
The expression of the free energy density of a classical crystalline system as a gradient expansion in terms of a set of order parameters is developed using classical density functional theory. The goal here is to extend and complete an…
Physical reservoir computing (PRC) is a computing framework that harnesses the intrinsic dynamics of physical systems for computation. It offers a promising energy-efficient alternative to traditional von Neumann computing for certain…
Data-Driven Computational Mechanics is a novel computing paradigm that enables the transition from standard data-starved approaches to modern data-rich approaches. At this early stage of development, one can distinguish two mainstream…
Self-energy-functional theory is a formal framework which allows to derive non-perturbative and thermodynamically consistent approximations for lattice models of strongly correlated electrons from a general dynamical variational principle.…
The principles behind the computation of protein-ligand binding free energies by Monte Carlo integration are described in detail. The simulation provides gas-phase binding free energies that can be converted to aqueous energies by solvation…
Promoting energy efficiency to a first class system design goal is an important research challenge. Although more energy-efficient hardware can be designed, it is software that controls the hardware; for a given system the potential for…
The hybrid kinetic-ion fluid-electron plasma model is widely used to study challenging multi-scale problems in space and laboratory plasma physics. Here, a novel conservative scheme for this model employing implicit particle-in-cell…
We analyze from a far field the evolution of an interface that separates ideal incompressible fluids of different densities and has an interfacial mass flux. We develop and apply the general matrix method to rigorously solve the boundary…
We derive a general expression for the fermion self-energy in a hot magnetized plasma by using the Landau-level representation. In the one-loop approximation, the Dirac structure of the self-energy is characterized by five different…