Related papers: Fission of charged alanine dipeptides
We found that a true ternary fission with formation of a heavy third fragment (a new type of radioactivity) is quite possible for superheavy nuclei due to the strong shell effects leading to a three-body clusterization with the two doubly…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
We study the relation between $\alpha$-helix formation and folding for a simple artificial peptide, Ala$_{10}$-Gly$_5$-Ala$_{10}$. Our data rely on multicanonical Monte Carlo simulations where the interactions among all atoms are taken into…
A new type of phase separation in the polyelectrolyte solutions consisting of several types of charged macromolecules differing in their degree of ionization is predicted via a general thermodynamic consideration. We show that even a small…
Switching on high activity in a relatively dense system of active Janus colloids, we observe fast clustering, followed by cluster aggregation towards full phase separation. The phase separation process is however interrupted when large…
Sudden ionisation of a relatively large molecule can initiate a correlation-driven process dubbed charge migration, where the electron density distribution is expected to rapidly change. Capturing this few-femtosecond/attosecond charge…
Within Fermionic Molecular Dynamics we investigate fragmentation of a compound system which was created in a heavy-ion collision at a beam energy in the Fermi energy domain and the decay of excited iron nuclei. We show that in FMD many-body…
The reactive collisions of the CH$^+$ molecular ion with electrons is studied in the framework of the multichannel quantum defect theory, taking into account the contribution of the core-excited Rydberg states. In addition to the…
The transport and dispersion of multiple species of charged ions are central to many biological and physical processes, including electrokinetic ion separation. However, most theoretical studies of dispersion in channels have focused on…
We develop a theoretical approach to the protein folding problem based on out-of-equilibrium stochastic dynamics. Within this framework, the computational difficulties related to the existence of large time scale gaps in the protein folding…
The partition function, $U$, the number of available states in an atom or molecules, is crucial for understanding the physical state of any astrophysical system in thermodynamic equilibrium. There are surprisingly few {\em useful}…
We describe several unexpected phenomena, caused by a solid-solid phase transition (gel-to-crystal) typical for all main classes of lipid substances - phospholipids, triglycerides, diglycerides, alkanes, etc. We discovered that this…
We study the fragmentation of very large dimers into two singly charged ions caused by absorption of a photon. In this process a photo electron emitted from one atom of the dimer has certain chances to hit the other atom knocking out one of…
Experimental results on peripheral fragmentation of relativistic $^{11}$B nuclei are presented. In the experiment the emulsions exposured to $^{11}$B beam with momentum 2.75 A GeV/c at the JINR Nuclotron are used. The relative probability…
We show that in a gas of ultra cold atoms distance selective two-body loss can be engineered via the resonant laser excitation of atom pairs to interacting electronic states. In an optical lattice this leads to a dissipative Master equation…
A geometric analysis of protein folding, which complements many of the models in the literature, is presented. We examine the process from unfolded strand to the point where the strand becomes self-interacting. A central question is how it…
The charge topology of peripheral fragmentation of 1.2 A GeV $^7$Be nuclei in a nuclear emulsion is presented. The dissociation of $^7$Be nuclei via the channels $^7$Be$\rightarrow ^4$He + $^3$He, $^7$Be$\rightarrow$2$^3$He + n and…
Tight binding molecular dynamics simulations, with a non orthogonal basis set, are performed to study the fragmentation of carbon fullerenes doped with up to six silicon atoms. Both substitutional and adsorbed cases are considered. The…
We implement the replica exchange molecular dynamics algorithm to study the interactions of a model peptide (WALP-16) with an explicitly represented DPPC membrane bilayer. We observe the spontaneous, unbiased insertion of WALP-16 into the…
We investigate the fragmentation process of solid materials with crystalline and amorphous phases using the discrete element method. Damage initiates inside spherical samples above the contact zone in a region where the circumferential…