Related papers: Associative bond swaps in molecular dynamics
The purpose of this short contribution is to report on the development of a Spectral Neighbor Analysis Potential (SNAP) for tungsten. We have focused on the characterization of elastic and defect properties of the pure material in order to…
We propose a hybrid model predictive control algorithm, consensus complementarity control (C3), for systems that make and break contact with their environment. Many state-of-the-art controllers for tasks which require initiating contact…
We develop a variational approach at finite temperature that incorporates many-body correlation self-consistently. The grand potential is constructed in terms of Green's function expressed by the variational parameters. We apply this…
Real-time model predictive control of non-smooth switching systems remains challenging due to discontinuities and the presence of discrete modes, which complicate numerical integration and optimization. This paper presents a real-time…
This paper presents a proposal of a rather new type of effective interatomic interaction for molecular dynamics and similar applications. The model consists of atoms with prescribed geometric arrangement of active orbitals, represented by…
We present a simple model that enables us to analytically characterize a floppy to rigid transition and an associated self-adaptive intermediate phase in a random bond network. In this intermediate phase, the network adapts itself to lower…
The attractive Fermi-Hubbard model stands out as a simple model for studying the pairing and superconductivity of fermions on a lattice. In this article, we apply several many-body theories in the three-dimensional attractive Hubbard model.…
We present a simple, experimentally realizable method to make coherent three-body interactions dominate the physics of an ultracold lattice gas. Our scheme employs either lattice modulation or laser-induced tunneling to reduce or turn off…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
Cooperative binding affects many processes in biology, but it is commonly addressed only in equilibrium. In this work we explore dynamical cooperativity in driven systems, where the cooperation occurs because some of the bonds change the…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
We describe a lattice of asymmetrical qubit pairs in one or two dimensions, with couplings arranged so that the motion of single-qubit excited states mimics the behavior of charged lattice bosons hopping in a magnetic field. We show in…
Winged blimps operate across distinct aerodynamic regimes that cannot be adequately captured by a single model. At high speeds and small angles of attack, their dynamics exhibit strong coupling between lift and attitude, resembling…
Affine Body Dynamics (ABD) within the Incremental Potential Contact (IPC) framework provides accurate simulation of extremely stiff solids exhibiting near-rigid behavior, with strict non-penetration guarantees. However, IPC's globally…
We present the experimental detection of coherent three-body interactions, often masked by stronger two-body effects, through nonequilibrium spin dynamics induced by controllably quenching lattice-confined spinor gases. Three-body…
The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…
Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…
We present a three-dimensional (3D) partitioned aeroelastic formulation for a flexible multibody system interacting with incompressible turbulent fluid flow. While the incompressible Navier-Stokes system is discretized using a stabilized…
Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…
This paper investigates the problem of pose synchronization for multiple rigid body systems evolving on the matrix Lie group $\SE(3)$. We propose a distributed hybrid feedback control scheme with global asymptotic stability guarantees using…