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The accurate, reliable and efficient numerical approximation of multi-physics processes in heterogeneous porous media with varying media coefficients that include fluid flow and structure interactions is of fundamental importance in energy,…

Numerical Analysis · Mathematics 2018-01-17 Uwe Köcher

We explore how the big-three computing paradigms -- symmetric multi-processor (SMC), graphical processing units (GPUs), and cluster computing -- can together be brought to bare on large-data Gaussian processes (GP) regression problems via a…

Computation · Statistics 2014-06-05 Robert B. Gramacy , Jarad Niemi , Robin M. Weiss

Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…

Large language models (LLMs) are rapidly pushing the limits of contemporary computing hardware. For example, training GPT-3 has been estimated to consume around 1300 MWh of electricity, and projections suggest future models may require…

Hardware Architecture · Computer Science 2025-05-12 Renjie Li , Wenjie Wei , Qi Xin , Xiaoli Liu , Sixuan Mao , Erik Ma , Zijian Chen , Malu Zhang , Haizhou Li , Zhaoyu Zhang

DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…

Materials Science · Physics 2025-05-08 Nathan London , Dil K. Limbu , Md Omar Faruque , Farnaz A. Shakib , Mohammad R. Momeni

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…

At the core of some of the most important problems in plasma physics -- from controlled nuclear fusion to the acceleration of cosmic rays -- is the challenge to describe nonlinear, multi-scale plasma dynamics. The development of reduced…

Plasma Physics · Physics 2022-09-13 E. Paulo Alves , Frederico Fiuza

Memcomputing is a novel computing paradigm beyond the von-Neumann one. Its digital version is designed for the efficient solution of combinatorial optimization problems, which emerge in various fields of science and technology. Previously,…

Emerging Technologies · Computer Science 2024-02-02 Dyk Chung Nguyen , Yuan-Hang Zhang , Massimiliano Di Ventra , Yuriy V. Pershin

Common time-explicit numerical methods for kinetic simulations of plasmas in the low-collisions limit fall into two classes of algorithms: momentum conserving and energy conserving. Each has certain drawbacks. The PIC algorithm does not…

Plasma Physics · Physics 2015-06-11 E. G. Evstatiev , B. A. Shadwick

The simulation of quantum processes is a key goal for the grand programme aiming at grounding quantum technologies as the way to explore complex phenomena that are inaccessible through standard, classical calculators. Some interesting steps…

Quantum Physics · Physics 2013-06-12 Andrea Chiuri , Chiara Greganti , Laura Mazzola , Mauro Paternostro , Paolo Mataloni

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

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori

Our goal in this dissertation is to provide tools, programming models, and system support for PIM architectures (with a focus on DRAM-based solutions), to ease the adoption of PIM in current and future systems. To this end, we make at least…

Hardware Architecture · Computer Science 2025-08-28 Geraldo F. Oliveira

With the increasing size of quantum processors, sub-modules that constitute the processor hardware will become too large to accurately simulate on a classical computer. Therefore, one would soon have to fabricate and test each new design…

The Cellular Potts Model (CPM) is a widely used simulation paradigm for systems of interacting cells that has been used to study scenarios ranging from plant development to morphogenesis, tumour growth and cell migration. Despite their wide…

Tissues and Organs · Quantitative Biology 2023-12-18 Shabaz Sultan , Sapna Devi , Scott N. Mueller , Johannes Textor

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…

An important process for antimatter experiments is the cooling of particles in a Penning-Malmberg trap to experimentally useful temperatures. A non-neutral plasma of one species (e.g. antiprotons) can be collisionally cooled on another…

Plasma Physics · Physics 2025-11-13 James C. Welch , Louis Jose , Timothy D. Tharp , Scott D. Baalrud

Real-time simulation enables the understanding of system operating conditions by evaluating simulation models of physical components running synchronized at the real-time wall clock. Leveraging the real-time measurements of comprehensive…

Systems and Control · Electrical Eng. & Systems 2021-04-12 XiaoRui Liu , Juan Ospina , Ioannis Zografopoulos , Alonzo Russell , Charalambos Konstantinou

FPGA accelerators are gaining increasing attention in both cloud and edge computing because of their hardware flexibility, high computational throughput, and low power consumption. However, the design flow of FPGAs often requires specific…

Hardware Architecture · Computer Science 2021-02-22 Masudul Hassan Quraishi , Erfan Bank Tavakoli , Fengbo Ren

Traditional Von Neumann computing is falling apart in the era of exploding data volumes as the overhead of data transfer becomes forbidding. Instead, it is more energy-efficient to fuse compute capability with memory where the data reside.…