相关论文: Fine-Tuning the Polarizable CL&Pol Force Field for…
Low dimensional structures comprised of ferroelectric (FE) PbTiO$_3$ (PTO) and quantum paraelectric SrTiO$_3$ (STO) are hosts to complex polarization textures such as polar waves, flux-closure domains and polar skyrmion phases. Density…
The ionization of atoms and molecules by strong laser fields has been studied extensively, both theoretically and experimentally. The strong-field approximation (SFA) allows for the analytical solution of the Schr\"{o}dinger equation and…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…
In the last decade, the use of Machine and Deep Learning (MDL) methods in Condensed Matter physics has seen a steep increase in the number of problems tackled and methods employed. A number of distinct MDL approaches have been employed in…
This paper proposes and validates two new particle regularization techniques for the Smoothed Particle Hydrodynamics (SPH) numerical method to improve its stability and accuracy for free surface flow simulations. We introduce a general form…
The generation of polarized particle beams still relies on conventional particle accelerators, which are typically very large in scale and budget. Concepts based on laser-driven wake-field acceleration have strongly been promoted during the…
Machine learning force fields (MLFFs) are gaining attention as an alternative to classical force fields (FFs) by using deep learning models trained on density functional theory (DFT) data to improve interatomic potential accuracy. In this…
Super-strongly magnetized plasmas play a crucial role in extreme environments of magnetar and laboratory laser experiments, demanding comprehensive understanding of how quantum electrodynamic (QED) effects influence plasma behaviour.…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
Shell-model calculations of the electric dipole (E1) polarizability have been performed for the ground state of selected p- and sd-shell nuclei, substantially advancing previous knowledge. Our results are slightly larger compared with the…
We analyze the potential of future high-energy deep-inelastic scattering (DIS) experiments to probe new physics within the framework of the Standard Model Effective Field Theory (SMEFT). We perform a detailed study of SMEFT probes at a…
We present a systematic coarse-graining (CG) strategy for many particle molecular systems based on cluster expansion techniques. We construct a hierarchy of coarse-grained Hamiltonians with interaction potentials consisting of two, three…
The contact line (CL) is where solid, liquid and vapor phases meet, and Young's equation describes the macroscopic force balance of the interfacial tensions between these three phases. These interfacial tensions are related to the nanoscale…
Stretching dynamics of polymers in microfluidics is of particular interest for polymer scientists. As a charged polymer, a polyelectrolyte can be deformed from its coiled equilibrium configuration to an extended chain by applying uniform or…
The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. Here, a novel, implicit, particle-in-cell based…
We demonstrate an automatic method of force field development for molecular simulations. Parameter tuning is taken as an optimization problem in many dimensions. The parameters are automatically adapted to reproduce known experimental data…
Thermodynamic theory is developed for the ferroelectric phase transition of an ultrathin film in equilibrium with a chemical environment that supplies ionic species to compensate its surface. Equations of state and free energy expressions…
We discuss new-physics searches and symmetry tests with dipole moments, emphasizing the role of polarization observables. As a primary benchmark, we consider polarized photon fusion in the $e^+ e^-$ environment of the Super Tau-Charm…
The hybrid kinetic-ion fluid-electron plasma model is widely used to study challenging multi-scale problems in space and laboratory plasma physics. Here, a novel conservative scheme for this model employing implicit particle-in-cell…
We present a critical comparison of the dielectric properties of three models of water - TIP4P/2005, TIP4P/2005f and TTM3F. Dipole spatial correlation is measured using the distance dependent Kirkwood function along with one dimensional and…