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We have developed a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods permit efficient calculations on ill-conditioned systems with long…

mtrl-th · Physics 2009-10-28 E. L. Briggs , D. J. Sullivan , J. Bernholc

In this dissertation, a fully object-oriented, fully relativistic, multi-dimensional Particle-In-Cell code was developed and applied to answer key questions in plasma-based accelerator research. The simulations increase the understanding of…

Computational Physics · Physics 2015-03-03 Roy G. Hemker

Multireference electron correlation methods describe static and dynamical electron correlation in a balanced way, and therefore, can yield accurate and predictive results even when single-reference methods or multiconfigurational…

Chemical Physics · Physics 2019-11-19 Jae Woo Park , Rachael Al-Saadon , Matthew K. MacLeod , Toru Shiozaki , Bess Vlaisavljevich

Processes occurring in a radio-frequency (rf) cavity, filled with high pressure gas and interacting with proton beams, have been studied via advanced numerical simulations. Simulations support the experimental program on the hydrogen…

Accelerator Physics · Physics 2018-03-28 Kwangmin Yu , Roman Samulyak , Katsuya Yonehara , Ben Freemire

We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally…

Chaotic Dynamics · Physics 2007-05-23 Toshiya Takami , Jun Maki , Jun-ichi Ooba , Taizo Kobayashi , Rie Nogita , Mutsumi Aoyagi

We present an extension of the well-known micromagnetic package Mumax3 to simulate magnon-polaritons in realistic magnetic materials and nanostructures. Mumax3-cQED leverages the full GPU-accelerated capabilities of Mumax3 to model standard…

Increasing complexity in the power system and the transformation towards a smart grid lead to the necessity of new tools and methods for the development and testing of new technologies. One testing method is co-simulation, which allows…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Jan Sören Schwarz , Cornelius Steinbrink , Sebastian Lehnhoff

The latest research of the proportionality of atomic weights of chemical elements made it possible to obtain 3 x 3 matrices for the calculation of information coefficients of proportionality Ip that can be used for 3D modeling of the…

General Physics · Physics 2012-07-20 Mikhail M. Labushev

Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…

This paper considers the optimization of multi-edge type low-density parity-check (METLDPC) codes to maximize the decoding threshold. We propose an algorithm to jointly optimize the node degree distribution and the multi-edge structure of…

Information Theory · Computer Science 2016-05-17 Sachini Jayasooriya , Mahyar Shirvanimoghaddam , Lawrence Ong , Sarah J. Johnson

We present a numerical code for multi-component simulation of the galactic evolution. Our code includes the following parts: $N$-body is used to evolve dark matter, stellar dynamics and dust grains, gas dynamics is based on TVD-MUSCL scheme…

Computational Physics · Physics 2015-02-11 S. A. Khoperskov , E. O. Vasiliev , A. V. Khoperskov , V. N. Lubimov

The principles of the parallel numerical code SELFAS-3 are presented. The code modifies previous version of the code to enable parallel computations of electrodynamic aggregation in a many-body system of basic blocks which are taken as…

Computational Physics · Physics 2010-01-15 A. B. Kukushkin , V. S. Neverov

This work proposes an autonomous multi-robot exploration pipeline that coordinates the behaviors of robots in an indoor environment composed of multiple rooms. Contrary to simple frontier-based exploration approaches, we aim to enable…

Robotics · Computer Science 2023-12-18 Seungchan Kim , Micah Corah , John Keller , Graeme Best , Sebastian Scherer

The multiple colliding laser pulse concept formulated in Ref. [1] is beneficial for achieving an extremely high amplitude of coherent electromagnetic field. Since the topology of electric and magnetic fields oscillating in time of multiple…

Plasma Physics · Physics 2017-01-13 S. V. Bulanov , T. Zh. Esirkepov , S. S. Bulanov , J. K. Koga , Z. Gong , X. Q. Yan , M. Kando

Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…

Strongly Correlated Electrons · Physics 2010-12-06 Masatoshi Imada , Takashi Miyake

Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device. However, MD simulation box's…

Materials Science · Physics 2015-05-19 Seiki Saito , Atsushi M. Ito , Arimichi Takayama , Takahiro Kenmotsu , Hiroaki Nakamura

We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…

A new numerical code, based upon a mixed FEM-Runge-Kutta method, is used for the analysis and design of plane 2-D smart structures. The code is applied to the study of arbitrarily shaped PEM plates, based on a weak formulation of their…

Mathematical Physics · Physics 2010-07-12 F. dell'Isola , E. Santini , D. Vigilante

We introduce multiplexed atom-cavity quantum electrodynamics with an atomic ensemble coupled to a single optical cavity mode. Multiple Raman dressing beams establish cavity-coupled spin-wave excitations with distinctive spatial profiles.…

Atomic Physics · Physics 2020-01-01 Kevin C. Cox , David H. Meyer , Zachary A. Castillo , Fredrik K. Fatemi , Paul D. Kunz

Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…

Materials Science · Physics 2026-03-25 El Hassane Lahrar , Mathieu Salanne , Rudolf Weeber , Céline Merlet