Related papers: Analysis of the Time Reversible Born-Oppenheimer M…
The internal dynamics of macro-molecular systems is characterized by widely separated time scales, ranging from fraction of ps to ns. In ordinary molecular dynamics simulations, the elementary time step dt used to integrate the equation of…
Multi-body mechanical systems have rich internal dynamics, whose solutions can be exploited as efficient control targets. Yet, solutions non-trivially depend on system parameters, obscuring feasible properties for use as target…
We report on the development of a computational framework for the parallel, mesh-adaptive solution of systems of hyperbolic conservation laws like the time-dependent Euler equations in compressible gas dynamics or Magneto-Hydrodynamics…
Geometric confinement and topological constraints present promising means of controlling active materials. By combining analytical arguments derived from the Born-Oppenheimer approximation with numerical simulations, we investigate the…
The coupled equations which describe the temporal evolution of the Bose-Einstein condensed system are derived in the framework of nonequilibrium Thermo Field Dynamics. The key element is that they are not the naive assemblages of presumable…
Nonlinear balanced truncation is a model order reduction technique that reduces the dimension of nonlinear systems in a manner that accounts for either open- or closed-loop observability and controllability aspects of the system. Two…
We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are…
The defining feature of active particles is that they constantly propel themselves by locally converting chemical energy into directed motion. This active self-propulsion prevents them from equilibrating with their thermal environment…
Latent dynamics models have emerged as powerful tools for modeling and interpreting neural population activity. Recently, there has been a focus on incorporating simultaneously measured behaviour into these models to further disentangle…
The relativistic precession model (RPM) is widely-considered as a benchmark framework to interpret quasi-periodic oscillations (QPOs), albeit several observational inconsistencies suggest that the model remains incomplete. The RPM ensures…
Equilibrium statistical mechanics provides a robust framework for characterizing phase transitions in systems whose microsopic dynamics are time-reversible. Efforts to develop and validate theoretical frameworks for time-irreversible,…
Time-delay dynamical systems inherently embody infinite-dimensional dynamics, thereby amplifying their complexity. This aspect is especially notable in nonlinear dynamical systems, which frequently defy analytical solutions and necessitate…
We study an inverse problem for stochastic and quantum dynamical systems in a time-label-free setting, where only unordered density snapshots sampled at unknown times drawn from an observation-time distribution are available. These…
Linear mechanical systems with time-modulated parameters can harbor oscillations with amplitudes that grow or decay exponentially with time due to the phenomenon of parametric resonance. While the resonance properties of individual…
We determine the processes obtained from a large class of reflected Brownian motions (RBMs) in the nonnegative orthant by means of time reversal. The class of RBMs we deal with includes, but is not limited to, RBMs in the so-called…
Active matter describes systems whose constituents convert energy from their surroundings into directed motion, such as bacteria or catalytic colloids. We establish a thermodynamic law for dilute suspensions of interacting active particles…
The next generation of force fields for molecular dynamics will be developed using a wealth of data. Training systematically with experimental data remains a challenge, however, especially for machine learning potentials. Differentiable…
A restricted Boltzmann machine (RBM) is a generative neural-network model with many novel applications such as collaborative filtering and acoustic modeling. An RBM lacks the capacity to retain memory, making it inappropriate for dynamic…
The Tribomechadynamics Research Challenge (TRC) was a blind prediction of the vibration behavior of a thin plate clamped on two sides using bolted joints. The first bending mode's natural frequency and damping ratio were requested as…
Based on a novel concept of multiplicative multiscale decomposition, we have derived a multiscale micromorphic molecular dynamics (MMMD)to extent the (Andersen)-Parrinello-Rahman molecular dynamics to mesoscale and macroscale. The…