Related papers: Symmetric Molecular Dynamics
Catalytically active colloids maintain non-equilibrium conditions in which they produce and deplete chemicals and hence effectively act as sources and sinks of molecules. While individual colloids that are symmetrically coated do not…
In this paper, we study the Lie point symmetry group of a system describing an ideal plastic plane flow in two dimensions in order to find analytical solutions of the system. The infinitesimal generators that span the Lie algebra for this…
The spontaneous formation of patterns in dynamical systems is a rich phenomenon that transcends scientific boundaries. Here, we report our observation of coupled optical-atomic pattern formation, which results in the creation of…
Molecular crystal structure prediction represents a grand challenge in computational chemistry due to large sizes of constituent molecules and complex intra- and intermolecular interactions. While generative modeling has revolutionized…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
The fast dynamics of molecular polaritonics is scrutinized theoretically through the implementation of two-dimensional spectroscopy protocols. We derive conceptually simple and computationally efficient formulas to calculate two-dimensional…
Existence, stability and dynamics of soliton complexes, centered at the site of a single transverse link connecting two parallel 2D (two-dimensional) lattices, are investigated. The system with the on-site cubic self-focusing nonlinearity…
A symmetry analysis is presented for the three-dimensional nonrelativistic motion of charged particles in arbitrary stationary electromagnetic fields. The general form of the Lie point symmetries is found along with the fields that respect…
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The…
A framework to calculate two-particle matrix elements for fully antisymmetrized three-cluster configurations is presented. The theory is developed for a scattering situation described in terms of the Algebraic Model. This means that the…
When flat or on a firm mechanical substrate, the atomic composition and atomistic structure of two-dimensional crystals dictate their chemical, electronic, optical, and mechanical properties. These properties change when the two-dimensional…
Starting with the generally well accepted opinion that quantizing an arbitrary Hamiltonian system involves picking out some additional structure on the classical phase space (the {\sl shadow} of quantum mechanics in the classical theory),…
In the last years self-motile droplets attracted the attention of scientists from different fields ranging from applied biology to theoretical physics, because of their promising technological applications and important biological…
It is show that in group representation by non-traditionally determining by the Maxwell equations, instead of wave, linear differential operator of momentous type from the common point of view the transformation of electromagnetic and…
Machine learning for predicting control landscape maps of full quantum molecular dynamics is examined through a case study of the laser-induced three-dimensional (3D) alignment of asymmetric top molecules, an essential technique for…
The symmetric space sine-Gordon models arise by conformal reduction of ordinary 2-dim $\sigma$-models, and they are integrable exhibiting a black-hole type metric in target space. We provide a Lagrangian formulation of these systems by…
We use group theoretic methods to obtain the extended Lie point symmetries of the equations of motion for a charged particle in the field of a monopole. Cases with certain model magnetic fields and potentials are also studied. Our analysis…
Shape dynamics is a completely background-independent universal framework of dynamical theories from which all absolute elements have been eliminated. For particles, only the variables that describe the shapes of the instantaneous particle…