Related papers: Linear-scaling generation of potential energy surf…
We experimentally demonstrate spectral broadening and shaping of exponentially-decaying nanosecond pulses via nonlinear mixing with a phase-modulated pump in a periodically-poled lithium niobate (PPLN) waveguide. A strong, 1550~nm pulse is…
We study the acceleration of electrons and positrons at an electromagnetically modified, ultra-relativistic shock in the context of pulsar wind nebulae (PWNe). We simulate the outflow produced by an obliquely rotating pulsar in proximity of…
We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling [Skilling J. (2004) In AIP Conference Proceedings, vol. 735, p. 395.; Skilling…
We describe how to apply the recently developed pole expansion and selected inversion (PEXSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
Recent developments in experiments with vibrational electron energy loss spectroscopy (EELS) have revealed spectral shape variations at spatial resolutions down to sub-atomic scale. Interpretation in terms of local phonon density of states…
Auto-regressive neural sequence models have been shown to be effective across text generation tasks. However, their left-to-right decoding order prevents generation from being parallelized. Insertion Transformer (Stern et al., 2019) is an…
In this paper, we introduce a multiscale framework based on adaptive edge basis functions to solve second-order linear elliptic PDEs with rough coefficients. One of the main results is that we prove the proposed multiscale method achieves…
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…
Advancing the dynamics inference of power electronic systems (PES) to the real-time edge-side holds transform-ative potential for testing, control, and monitoring. How-ever, efficiently inferring the inherent hybrid continu-ous-discrete…
A trivial flaw in the utilization of artificial neural networks in interpolating chemical potential energy surfaces (PES) whose descriptors are Cartesian coordinates is their dependence on simple translations and rotations of the molecule…
The adoption of a Reconfigurable Intelligent Surface (RIS) for downlink multi-user communication from a multi-antenna base station is investigated in this paper. We develop energy-efficient designs for both the transmit power allocation and…
Projected entangled-pair states (PEPS) have become a powerful tool for studying quantum many-body systems in the condensed matter and quantum materials context, particularly with advances in variational energy optimization methods. A key…
The generation of energetic electron bunches by the interaction of a short, ultra-intense ($I>10^{19} \textrm{W/cm}^2$) laser pulse with "grating" targets has been investigated in a regime of ultra-high pulse-to-prepulse contrast…
In the present work we introduce a computational approach to the absolute rovibrational quantum partition function using the path-integral formalism of quantum mechanics in combination with the nested sampling technique. The numerical…
As a promising framework for resolving partial differential equations (PDEs), Physics-Informed Neural Networks (PINNs) have received widespread attention from industrial and scientific fields. However, lack of expressive ability and…
Ultra intense lasers are a promising source of energetic ions for various applications. An interesting approach described in Ferri et al. 2019 argues from Particle-in-Cell simulations that using two laser pulses of half energy (half…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
We develop a family of expanded mixed Multiscale Finite Element Methods (MsFEMs) and their hybridizations for second-order elliptic equations. This formulation expands the standard mixed Multiscale Finite Element formulation in the sense…
Angular resolved electron energy-loss spectroscopy (EELS) gives access to the momentum and the energy dispersion of electronic excitations and allows to explore the transition from individual to collective excitations. Dimensionality and…