相关论文: Thermodynamic relations at the coupling boundary i…
Antibody-based therapeutics-including antibody-drug conjugates (ADCs), bispecific antibodies, and novel formats-are reshaping oncology, yet key determinants of efficacy, safety, and manufacturability frequently emerge after conjugation and…
The consistent definition of the thermodynamic functions of small open quantum systems in contact with an environment in equilibrium with a heat bath has been the subject of many debates in the quantum community. In the present work we…
Sign and magnitude of the thermodynamic curvature provides empirical information about the nature of microstructures of a general thermodynamic system. For charged black holes in AdS, thermodynamic curvature is positive for large charge or…
We present an example of a Thermal Process for a system of $d$ energy levels, which cannot be performed without an instant access to the whole energy space. This Thermal Process is uniquely connected with a transition between some states of…
Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing…
The theory of small-system thermodynamics was originally developed to extend the laws of thermodynamics to length scales of nanometers. Here we review this "nanothermodynamics," and stress how it also applies to large systems that subdivide…
Stochastic nonlinear dynamical systems can undergo rapid transitions relative to the change in their forcing, for example due to the occurrence of multiple equilibrium solutions for a specific interval of parameters. In this paper, we…
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…
Using the mass balance equations for chemical reactions, we show how the system relaxes towards a steady state in and out of the Onsager region. In the chemical affinities space, after fast transients, the relaxation process is a straight…
An irreversible thermodynamical theory of solids is presented where the kinematic quantities are defined in an automatically objective way. Namely, auxiliary elements like reference frame, reference time and reference configuration are…
Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environment. In a prevalent realization of this approach, this…
The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…
Arbitrarily Applicable Relational Responding (AARR) is a cornerstone of human language and reasoning, referring to the learned ability to relate symbols in flexible, context-dependent ways. In this paper, we present a novel theoretical…
This review focuses on the striking recent progress in solving for hydrophobic interactions between small inert molecules. We discuss several new understandings. Firstly, the _inverse _temperature phenomenology of hydrophobic interactions,…
In this chapter, using statistical physics methods, asymptotic closed-form expressions for the mean and variance of the mutual information for a multi-antenna transmitter-receiver pair in the presence of multiple Reconfigurable Intelligent…
The physical interpretation of the functioning of the adaptive immune system, which has been thoroughly characterized on genetic and molecular levels, provides a unique opportunity to define an adaptive self-organizing biological system in…
We present a method to increase the resolution of measurements of a physical system and subsequently predict its time evolution using thermodynamics-aware neural networks. Our method uses adversarial autoencoders, which reduce the…
A novel approach is presented for the solution of instantaneous chemical equilibrium problems. The chemical equilibrium can be considered, due to its intrinsically local character, as a mapping of the three-dimensional parameter space…
Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…
Molecular design requires systematic and broadly applicable methods to extract structure-property relationships. The focus of this study is on learning thermodynamic properties from molecular-liquid simulations. The methodology relies on an…