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This paper introduces a novel method for optimizing HVAC systems in buildings by integrating a high-fidelity physics-based simulation model with machine learning and measured data. The method enables a real-time building advisory system…
We explore the thermodynamics of quantum processes (quantum channels) by axiomatically introducing the free energy for channels, defined via the quantum relative entropy with an absolutely thermal channel whose fixed output is in…
We apply advanced methods of control theory to open quantum systems and we determine finite-time processes which are optimal with respect to thermodynamic performances. General properties and necessary conditions characterizing optimal…
Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales, however, the utility of these simulations is often limited by our ability to directly compare them with the…
A mathematical model of the heat process in one-dimensional domain governed by a cylindrical heat equation with a heat source on the axis $z=0$ and nonlinear thermal coefficients is considered. The developed model is particularly applicable…
In this text, we implement a monte carlo algorithm to study thermodynamic properties of ice. Our program, written in Python, is open-sourced and available at https://github.com/AKnightWing/ColdAsIce. We develop a novel scheme to compute the…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
The increasing global emphasis on sustainability and reducing carbon emissions is pushing governments and corporations to rethink their approach to data center design and operation. Given their high energy consumption and exponentially…
pandapower is a Python based, BSD-licensed power system analysis tool aimed at automation of static and quasi-static analysis and optimization of balanced power systems. It provides power flow, optimal power flow, state estimation,…
We introduce the resource-theoretic free energy of a quantum channel as the maximal work extractable from the channel as its output equilibrates to a thermal state and its reference system remains locally intact. It is proportional to the…
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…
Heat is a physical manifestation of entropy, where the removal of entropy from a thermal energy reservoir permits the conversion of heat into work. This entropy transfer is facilitated by the cold thermal energy reservoir in typical heat…
Water is essential for the activity of proteins. However, the effect of the properties of water on the behavior of proteins is only partially understood. Recently, several experiments have investigated the relation between the dynamics of…
We regularize the potential distribution framework to calculate the excess free energy of liquid water simulated with the BLYP-D density functional. The calculated free energy is in fair agreement with experiments but the excess internal…
PROCESS is a reactor systems code - it assesses the engineering and economic viability of a hypothetical fusion power station using simple models of all parts of a reactor system. PROCESS allows the user to choose which constraints to…
We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. Based on a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each…
The prediction of electrical power in combined cycle power plants is a key challenge in the electrical power and energy systems field. This power output can vary depending on environmental variables, such as temperature, pressure, and…
We present molecular dynamics simulations of the SPC/E model of water to probe the dynamic properties at temperatures from 350 K down to 190 K and pressures from 2.5GPa (25kbar) down to -300MPa (-3kbar). We compare our results with those…
The demands placed on computational resources by the simulation requirements of high energy physics experiments motivate the development of novel simulation tools. Machine learning based generative models offer a solution that is both fast…
Since their discovery in 1822, supercritical fluids have been of enduring interest, and have started to be deployed in many important applications. Theoretical understanding of the supercritical state is lacking, and is seen to limit…