相关论文: The Projector Augmented Wave Method: ab-initio mol…
Propagation of a weak probe pulse through a $\Lambda$ system in a resonant gain configuration is investigated. We employ the control field intensity that permits the amplification of probe pulse during propagation, without instability at…
We present a simple and accurate computational method, which facilitates ab-initio path-integral molecular dynamics simulations, where the quantum mechanical nature of the nuclei is explicitly taken into account, at essentially no…
Recent advances in laser technology have enabled tremendous progress in photochemistry, at the heart of which is the breaking and formation of chemical bonds. Such progress has been greatly facilitated by the development of accurate…
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally highly demanding time-dependent dynamics. We have implemented…
Pump-probe microscopy is an emerging nonlinear imaging technique based on high repetition rate lasers and fast intensity modulation. Here we present new methods for pump-probe microscopy that keep the beam intensity constant and instead…
This paper reviews recent advances in photonic-assisted radio-frequency arbitrary waveform generation (RF-AWG), with emphasis on programmable ultrabroadband microwave and millimeter-wave waveforms. The key enabling components in these…
Large scale electronic structure calculations require modern high performance computing (HPC) resources and, as important, mature HPC applications that can make efficient use of those. Real-space grid-based applications of Density…
Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies…
We demonstrate enhanced wave-like character of diffuse photon density waves (DPDW) in an amplifying random medium. The amplifying nature makes it contingent to choose the wave solution that grows inside the amplifying medium, and has a…
The unified gas-kinetic wave-particle (UGKWP) method is a hybrid method for multiscale flow simulations, in which the contributions to the whole gas evolution from deterministic hydrodynamic wave and stochastic particle transport are…
Photomultiplier tubes (PMTs) are widely employed in particle and nuclear physics experiments. The accuracy of PMT waveform reconstruction directly impacts the detector's spatial and energy resolution. A key challenge arises when multiple…
A method to probe the guiding characteristics of waveguides formed in real-time is proposed and evaluated. It is based on the analysis of the time dependent light distribution observed at the exit face of the waveguide while progressively…
Infinite-horizon optimal control of constrained piecewise affine (PWA) systems has been approximately addressed by hybrid model predictive control (MPC), which, however, has computational limitations, both in offline design and online…
Kinetic inductance travelling wave parametric amplifiers (KI-TWPAs) have been simulated using Keysight's Advanced Design System (ADS). A lumped element representation of a superconducting transmission line has been developed using nonlinear…
Recent advancements in robotics, control, and machine learning have facilitated progress in the challenging area of object manipulation. These advancements include, among others, the use of deep neural networks to represent dynamics that…
Magnetic particle imaging (MPI) is an imaging method that can visualize magnetic nanoparticles in positive contrast, without radiation exposure. Recently, we proposed an image reconstruction method for projection-based MPI (pMPI), in which…
Functionals of the meta-generalized gradient approximation (MGGA) are nowadays widely used in chemistry and solid-state physics for the simulation of electronic systems like molecules, solids, or surfaces. Due to their dependency on the…
Theory of the optical parametric amplification at high-frequency pumping in crystals with a regular space modulation of the sign of nonlinear coupling coefficient of interacting waves is developed. By applying the matrix method, the theory…
We present an implementation of the GW approximation for the electronic self-energy within the full-potential linearized augmented-plane-wave (FLAPW) method. The algorithm uses an all-electron mixed product basis for the representation of…
A scheme for fast, compact, and controllable acceleration of heavy particles in vacuum is proposed, in which two counterpropagating lasers with variable frequencies drive a beat-wave structure with variable phase velocity, thus allowing for…