Related papers: A perturbation theory for water with an associatin…
Accurately simulating the properties of liquid water remains a central challenge in molecular simulations. In this work, we use machine learning potentials to investigate how the convergence settings of electronic structure calculations…
We develop a purely hydrodynamic formalism to describe collisional, anisotropic instabilities in a relativistic plasma, that are usually described with kinetic theory tools. Our main motivation is the fact that coarse-grained models of high…
We formulate a predictive theory at the level of forces of activated relaxation in hard sphere fluids and thermal liquids that covers in a unified manner the apparent Arrhenius, crossover and deeply supercooled regimes. The alpha relaxation…
A structural transformation in water upon compression was recently observed at the temperature $T=277$~K in the vicinity of the pressure $p \approx 2\;000$~Atm [R.M. Khusnutdinoff, A.V. Mokshin, J. Non-Cryst. Solids \textbf{357}, 1677…
We solve the Einstein constraint equations for a first-order causal viscous relativistic hydrodynamic theory in the case of a conformal fluid. For such a theory, a direct application of the conformal method does not lead to a decoupling of…
The present work investigates the evolution of linear perturbations of time-dependent ideal fluid flows with advected quantities, expressed in terms of the second order variations of the action corresponding to a Lagrangian defined on a…
Simplified, classical models of water are an integral part of atomistic molecular simulations, especially in biology and chemistry where hydration effects are critical. Yet, despite several decades of effort, these models are still far from…
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the simulations the electrode behaves as an ideally polarizable…
We argue that a technique called analytic perturbation theory leads to a well-defined method for analytically continuing the running coupling constant from the spacelike to the timelike region, which allows us to give a self-consistent…
Interpretation of the X-ray spectra of water as evidence for its asymmetric structure has challenged the conventional symmetric nearly-tetrahedral model and initiated an intense debate about the order and symmetry of the hydrogen bond…
Mode-coupling theory (MCT) is conjectured to be a mean-field description of dynamics of the structural glass transition and the replica theory to be its thermodynamic counterpart. However, the relationship between the two theories remains…
We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…
Simulating liquid water to an accuracy that matches its wealth of available experimental data requires both precise electronic structure methods and reliable sampling of nuclear (quantum) motion. This is challenging because applying the…
We use the non-perturbative renormalization group to clarify some features of perturbation theory in thermal field theory. For the specific case of the scalar field theory with O(N) symmetry, we solve the flow equations within the local…
Motivated by a number of recent experimental and computational studies of the dynamics of fluids plunged in quenched-disordered external fields, we report on a theoretical investigation of this topic within the framework of the…
Among the numerous anomalies of water, the acceleration of dynamics under pressure is particularly puzzling. Whereas the diffusivity anomaly observed in experiments has been reproduced in several computer studies, the parallel viscosity…
Perturbation theory can be reformulated as dynamical theory. Then a sequence of perturbative approximations is bijective to a trajectory of dynamical system with discrete time, called the approximation cascade. Here we concentrate our…
Water keeps puzzling scientists because of its numerous properties which behave oppositely to usual liquids: for instance, water expands upon cooling, and liquid water is denser than ice. To explain this anomalous behaviour, several…
Thermodynamic perturbation theory for central-force (TPT-CF) type of associating potential is used to study the phase behavior of symmetric binary mixture of associating particles with spherically symmetric interaction. The model is…
The integrated perturbation theory (iPT) is a set of methods in nonlinear perturbation theory for the structure formation in the Universe. In Papers I and II [arXiv:2210.10435, arXiv:2210.11085], the basic formalism and technical methods of…