Related papers: Multiple Transition States and Roaming in Ion-Mole…
Water mediates a broad range of chemical reactions, including proton transfer, bond rearrangement, and conventional radical processes, defining a continuously expanding repertoire of intrinsic reactivity. However, roaming, a fundamental…
The transition states and dividing surfaces used to find rate constants for bimolecular reactions are shown to undergo qualitative changes, known as Morse bifurcations, and to exist for a large range of energies, not just immediately above…
The equation of state of nuclear matter suggests that at suitable beam energies the disassembling hot system formed in heavy ion collisions will pass through a liquid-gas coexistence region. Searching for the signatures of the phase…
A time-dependent no-recrossing dividing surface is shown to lead to a new criterion for identifying reactive trajectories well before they are evolved to infinite time. Numerical dynamics simulations of a dissipative anharmonic…
We address a molecular dissociation mechanism that is known to occur when a H 2 molecule approaches a catalyst with its molecular axis parallel to the surface. It is found that molecular dissociation is a form of quantum dynamical phase…
Recently the phase space structures governing reaction dynamics in Hamiltonian systems have been identified and algorithms for their explicit construction have been developed. These phase space structures are induced by saddle type…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…
The dynamics of few two-level atoms interacting with one cavity mode is described in master equation formalism. Two different configurations are considered: a transient one with all atoms initially in the excited state and a stationary one…
We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…
We present several possibilities offered by the reaction dynamics of dissipative heavy ion collisions to study in detail the symmetry term of the nuclear equation of state, $EOS$. In particular we discuss isospin effects on the nuclear…
We study the bifurcation scenario of a three-degree-of-freedom Hamiltonian system, a model based on the Lagrange restricted 3-body problem: a test particle moving in the gravitational field of a pair of interacting dwarf galaxies. The phase…
We study a system of self-propelled disks that perform run-and-tumble motion, where particles can adopt more than one internal state. One of those internal states can be transmitted to another particle if the particle carrying this state…
This review discusses the dynamics of negative ion reactions with neutral molecules in the gas phase. Most anion-molecule reactions proceed via a qualitatively different interaction potential than cationic or neutral reactions. It has been…
In this article, we review the analytical and numerical approaches for computing the phase space structures in two degrees-of-freedom Hamiltonian systems that arise in chemical reactions. In particular, these phase space structures are the…
Heavy-ion collisions at small beam energies have the potential to reveal the rich phase structure of QCD at nonzero temperature and density. Among the possible phases are regimes which feature periodic modulations of the spatial structure,…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
The system of N particles moving on a circle and interacting via a global repulsive cosine interaction is well known to display spatially inhomogeneous structures of extraordinary stability starting from certain low energy initial…
In this article we present the influence of a Hamiltonian saddle-node bifurcation on the high-dimensional phase space structures that mediate reaction dynamics. To achieve this goal, we identify the phase space invariant manifolds using…
A new type of traveling interface modulations has been observed in the NH$_3$ + O$_2$ reaction on a Rh(110) surface. A model is set up which reproduces the effect, which is attributed to diffusional mixing of two spatially separated…
The emergent dynamics in phase-separated mixtures of isometric active and passive Brownian particles is studied numerically in two dimensions. A novel steady-state of well-defined traveling fronts is observed, where the interface between…