We show that the equations of generalized hydrodynamics (GHD), a hydrodynamic theory for integrable quantum systems at the Euler scale, emerge in full generality in a family of classical gases, which generalize the gas of hard rods In this family, the particles, upon colliding, jump forward or backward by a distance that depends on their velocities, reminiscent of classical soliton scattering This provides a "molecular dynamics" for GHD: a numerical solver which is efficient, flexible, and which applies to the presence of external force fields GHD also describes the hydrodynamics of classical soliton gases We identify the GHD of any quantum model with that of the gas of its solitonlike wave packets, thus providing a remarkable quantum-classical equivalence The theory is directly applicable, for instance, to integrable quantum chains and to the Lieb-Liniger model realized in cold-atom experiments

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Soliton Gases and Generalized Hydrodynamics.

The theoretical description of complex (dusty) plasmas requires multiscale concepts that adequately incorporate the correlated interplay of streaming electrons and ions, neutrals and dust grains. Knowing the effective dust-dust interaction, the multiscale problem can be effectively reduced to a one-component plasma model of the dust subsystem. The goal of this paper is a systematic evaluation of the electrostatic potential distribution around a dust grain in the presence of a streaming plasma environment by means of two complementary approaches: (i) a high-precision computation of the dynamically screened Coulomb potential from the dynamic dielectric function and (ii) full 3D particle-in-cell simulations, which self-consistently include dynamical grain charging and nonlinear effects. The range of applicability of these two approaches is addressed.

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On the wake structure in streaming complex plasmas

Electron screening of ions is among the most fundamental properties of plasmas, determining the effective ionic interactions that impact all properties of a plasma. With the development of new experimental facilities that probe high-energy-density physics regimes ranging from warm dense matter to hot dense matter, a unified framework for describing dense plasma screening has become essential. Such a unified framework is presented here based on finite-temperature orbital-free density functional theory, including gradient corrections and exchange-correlation effects. We find a new analytic pair potential for the ion-ion interaction that incorporates moderate electronic coupling, quantum degeneracy, gradient corrections to the free energy, and finite temperatures. This potential can be used in large-scale ``classical'' molecular dynamics simulations, as well as in simpler theoretical models (e.g., integral equations and Monte Carlo), with no additional computational complexity. The new potential theoretically connects limits of Debye-H\"uckel--Yukawa, Lindhard, Thomas-Fermi, and Bohmian quantum hydrodynamics descriptions. Based on this new potential, we predict ionic static structure factors that can be validated using x-ray Thomson scattering data.

Unified description of linear screening in dense plasmas

The accelerating complexity and variety of medical imaging devices and methods have outpaced the ability to evaluate and optimize their design and clinical use. This is a significant and increasing challenge for both scientific investigations and clinical applications. Evaluations would ideally be done using clinical imaging trials. These experiments, however, are often not practical due to ethical limitations, expense, time requirements, or lack of ground truth. Virtual clinical trials (VCTs) (also known as in silico imaging trials or virtual imaging trials) offer an alternative means to efficiently evaluate medical imaging technologies virtually. They do so by simulating the patients, imaging systems, and interpreters. The field of VCTs has been constantly advanced over the past decades in multiple areas. We summarize the major developments and current status of the field of VCTs in medical imaging. We review the core components of a VCT: computational phantoms, simulators of different imaging modalities, and interpretation models. We also highlight some of the applications of VCTs across various imaging modalities.

Virtual clinical trials in medical imaging: a review

Molecular dynamics can provide very accurate tests of classical kinetic theory; for example, unambiguous comparisons can be made for classical particles interacting via a repulsive $1/r$ potential. The plasma stopping power problem, of great interest in its own right, provides an especially stringent test of a velocity-dependent transport property. We have performed large-scale ($\ensuremath{\sim}{10}^{4}--{10}^{6}$ particles) molecular dynamics simulations of charged-particle stopping in a classical electron gas that span the weak to moderately strong intratarget coupling regimes. Projectile-target coupling is varied with projectile charge and velocity. Comparisons are made with disparate kinetic theories (both Boltzmann and Lenard-Balescu classes) and fully convergent theories to establish regimes of validity. We extend these various stopping models to improve agreement with the MD data and provide a useful fit to our results.

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Molecular Dynamics Simulations of Classical Stopping Power

Large-scale molecular dynamics simulations of dense plasmas: The Cimarron Project

The potential impact of blood flow simulations on the diagnosis and treatment of patients suffering from vascular disease is tremendous Empowering models of the full arterial tree can provide insight into diseases such as arterial hypertension and enables the study of the influence of local factors on global hemodynamics We present a new, highly scalable implementation of the lattice Boltzmann method which addresses key challenges such as multiscale coupling, limited memory capacity and bandwidth, and robust load balancing in complex geometries We demonstrate the strong scaling of a three-dimensional, high-resolution simulation of hemodynamics in the systemic arterial tree on 1,572,864 cores of Blue Gene/Q Faster calculation of flow in full arterial networks enables unprecedented risk stratification on a perpatient basis In pursuit of this goal, we have introduced computational advances that significantly reduce time-to-solution for biofluidic simulations

Massively parallel models of the human circulatory system

We present a uid dynamics video showing the results of a 9-billion atom molecular dynamics simulation of complex uid

Liam Krauss

Papers

Large-scale molecular dynamics simulations of dense plasmas: The Cimarron Project

Massively parallel models of the human circulatory system

Atoms in the Surf: Molecular Dynamics Simulation of the Kelvin-Helmholtz Instability using 9 Billion Atoms