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Simulating and predicting dynamics of quantum many-body systems is extremely challenging, even for state-of-the-art computational methods, due to the spread of entanglement across the system. However, in the long-wavelength limit, quantum…
Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and…
We use appropriately defined short ranged reference models of liquid water to clarify the different roles local hydrogen bonding, van der Waals attractions, and long ranged electrostatic interactions play in the solvation and association of…
Unfolding, in the context of high-energy particle physics, refers to the process of removing detector distortions in experimental data. The resulting unfolded measurements are straightforward to use for direct comparisons between…
Recent developments in stochastic thermodynamics have elucidated various relations between the entropy production rate (thermodynamic dissipation) and the physical limits of information processing in nonequilibrium dynamical systems. These…
We study Leaky ResNets, which interpolate between ResNets and Fully-Connected nets depending on an 'effective depth' hyper-parameter $\tilde{L}$. In the infinite depth limit, we study 'representation geodesics' $A_{p}$: continuous paths in…
The immersed boundary method is a mathematical framework for modeling fluid-structure interaction. This formulation describes the momentum, viscosity, and incompressibility of the fluid-structure system in Eulerian form, and it uses…
Path-integral molecular dynamics simulations and electronic structure-based energy decomposition analysis (EDA) are employed to connect hydrogen bond (H-bond) strength, its asymmetry, and the total delocalization energy at the water/air…
Recently, the theoretical framework of stochastic thermodynamics has been revealed to be useful for macroscopic systems. However, despite its conceptual and practical importance, the connection to hydrodynamics has yet to be explored. In…
In water, networks of semi-flexible fibrils of the protein $\alpha$-synuclein stiffen significantly with increasing temperature. We make plausible that this reversible stiffening is a result of hydrophobic contacts between the fibrils that…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…
Deriving quantum error correction and quantum control from the Schrodinger equation for a unified qubit-environment Hamiltonian will give insights into how microscopic degrees of freedom affect the capability to control and correct quantum…
We study the quantum many-body dynamics and the entropy production triggered by an interaction quench in a system of $N=10$ interacting identical bosons in an external one-dimensional harmonic trap. The multiconfigurational time-dependent…
Modern nanophotonic and meta-optical devices utilize a tremendous number of structural degrees of freedom to enhance light--matter interactions. A fundamental question is how large such enhancements can be. We develop an analytical…
While Reinforcement Learning (RL) has achieved remarkable progress in legged locomotion control, it often suffers from performance degradation in out-of-distribution (OOD) conditions and discrepancies between the simulation and the real…
Understanding the connection between thermodynamics and dynamics in glass-forming liquids remains a central challenge in condensed matter physics. In this study, we investigate a novel model system that enables a continuous crossover from a…
Interactions between molecules and electrode surfaces play a key role in electrochemical processes and are a subject of extensive research, both experimental and theoretical. In this manuscript, we address the water dissociation reaction on…
While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…
Understanding the entropy production of systems strongly coupled to thermal baths is a core problem of both quantum thermodynamics and mesoscopic physics. While there exist many techniques to accurately study entropy production in such…
We develop a self-consistent free-energy framework in which membrane shape and osmotic pressure are determined simultaneously in a finite reservoir by minimizing bending elasticity and solute entropy. Solute conservation makes osmotic…