Related papers: Merlin++, a flexible and feature-rich accelerator …
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popular molecular dynamics (MD) codes with implementations of a…
Standardization of data formats in a scientific discipline brings a range of benefits to researchers, as it enables the sharing of workflows and solutions to common problems, provides the foundation for generically useful tools that can be…
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…
As inference on Large Language Models (LLMs) emerges as an important workload in machine learning applications, weight quantization has become a standard technique for efficient GPU deployment. Quantization not only reduces model size, but…
The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…
A series of far-detector programs have been proposed for operation at various interaction points of the Large Hadron Collider during the upcoming runs. Investigating the potential and complementarity of these experiments for new-physics…
Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…
We report on the experience of developing Merlin, a language server for the OCaml programming language in development since 2013. Merlin is a daemon that connects to your favourite text editor and provides services that require a…
The nonlinear space-charge effects play an important role in high intensity/high brightness accelerators. These effects can be self-consistently studied using multi-particle simulations. In this lecture, we will discuss the particle-in-cell…
Matrix multiplication is the bedrock in Deep Learning inference application. When it comes to hardware acceleration on edge computing devices, matrix multiplication often takes up a great majority of the time. To achieve better performance…
We present a set of programming tools (classes and functions written in C++ and based on Message Passing Interface) for fast development of generic parallel (and non-parallel) lattice simulations. They are collectively called MDP 1.2. These…
The current over-provisioned heterogeneous multi-cores require effective run-time optimization strategies, and the run-time power monitoring subsystem is paramount for their success. Several state-of-the-art methodologies address the design…
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…
We present Matrix Distributed Processing, a C++ library for fast development of efficient parallel algorithms. MDP is based on MPI and consists of a collection of C++ classes and functions such as lattice, site and field. Once an algorithm…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…
In this talk, we introduce Merlin HugeCTR. Merlin HugeCTR is an open source, GPU-accelerated integration framework for click-through rate estimation. It optimizes both training and inference, whilst enabling model training at scale with…
Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…
In this work, we present a high-fidelity and efficient point-particle direct numerical simulation framework based on a multi-block overset curvilinear grid system, enabling large-scale Lagrangian particle tracking in complex geometries with…
We describe a new C++ library for multiprecision arithmetic for numbers in the order of 100--500 bits, i.e., representable with just a few limbs. The library is written in "optimizing-compiler-friendly" C++, with an emphasis on the use of…