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In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly…
A theoretical model that describes a new mechanism of atomic and molecular ionization in a low intensity electro-magnetic wave (light or laser beam) with the energy of quanta that is lower than required for a single photon ionization is…
Realistic modeling of ionic systems necessitates taking explicitly account of many-body effects. In molecular dynamics simulations, it is possible to introduce explicitly these effects through the use of additional degrees of freedom. Here…
The processes of electron excitation, capture, and ionization were investigated in proton collisions with atomic hydrogen in the initial $n=1$ and $n=2$ states at impact energies from 1 to 300 keV. The theoretical analysis is based on the…
Ionic crystals, such as solid electrolytes and complex oxides, are central to modern technologies for energy storage, sensing, actuation, and other functional applications. An important fundamental issue in the atomic and quantum-scale…
We present a simple and general coherence model for multiorbital tunnel ionization of molecules, which we incorporate into our previously developed density matrix approach for sequential double ionization [Yuen and Lin, Phys. Rev. A 106,…
The acceleration of protons and electrons in a reconnecting current sheet (RCS) is simulated with a particle-in-cell (PIC) 2D3V code for the proton-to-electron mass ratio of 100. The electro-magnetic configuration forming the RCS…
Diatomic molecules (e.g., O$_2$) in intense laser field exhibit a peculiar suppressed ionization behavior compared to their companion atoms. Several physical models have been proposed to account for this suppression while no consensus has…
The plasma emission process, which is the mechanism for solar type II and type III radio bursts phenomena, is studied by means of particle-in-cell and weak turbulence simulation methods. By plasma emission, it is meant as a loose…
DNA-functionalized particles have great potential for the design of complex self-assembled materials. The major hurdle in realizing crystal structures from DNA-functionalized particles is expected to be kinetic barriers that trap the system…
Two mechanisms of two-color (\omega + 2\omega) laser-induced field-free molecular orientation, based on the hyperpolarizability and ionization depletion, are explored and compared. The CO molecule is used as a computational example. While…
The modern Free-Electron-Lasers generate a highly intense polarized radiation which initiate a sequence of ionization and decay events. Their probability depends on the polarization of each state as function of time. Its complete accounting…
We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800\,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show…
Purpose: Recent studies suggest ultra-high dose rate (FLASH) irradiation can spare normal tissues from radiotoxicity, while efficiently controlling the tumor, and this is known as the FLASH effect. This study performed theoretical analyses…
The strong coupling between intense laser fields and valence electrons in molecules causes a distortion of the potential energy hypersurfaces which determine the motion of nuclei in a molecule and influences possible reaction pathways. The…
Proton radioactivity has been investigated using the effective liquid drop model with varying mass asymmetry shape and effective inertial coefficient. An effective nuclear radius constant formula replaces the old empirical one in the…
We discuss the possibility of non-exponential tunneling ionization of atoms irradiated by intense laser field. This effect can occur at times, which are greater than the lifetime of a system under consideration. The mechanism for…
In this paper, we present a probabilistic analysis of a dynamical particle model for the self-adaptive immune response to cancer, as proposed by the first author in a previous work. The model is motivated by the interplay between immune…
The dynamics of particles interacting by key-lock binding of attached biomolecules are studied theoretically. Examples of such systems include DNA-functionalized colloids as well as nanoparticles grafted with antibodies to cell membrane…
Half life values for proton radioactivity in nuclei have been calculated in the WKB approximation. The microscopic proton-nucleus potential has been obtained by folding the densities of daughter nuclei with two microscopic NN interactions,…