Computational Fluid Dynamics (CFD) is a branch of fluid mechanics that approximates the time-dependent partial differential equations numerically (PDE) that dictate fluid flows, the Navier-Stokes equations. The Navier-Stokes equations describe phenomena we encounter in our daily lives. Ranging from the …
Computational Fluid Dynamics with FEniCSx in the HPC world Read More »
Introduction Computer programs usually runs on a single core on a processor (CPU).But in order to run physics simulation and some others big computations programs in a reasonable time we have to use many cores simultaneously on a supercomputers.However it …
If you were to investigate the interaction of two atoms, where would you start? Let’s start thinking of the most uncomplicated atom, Hydrogen. Well, the most fundamental thing we know about them is that they obey the Schrödinger equation. Here …
How would you model a nanoscale atomistic simulation? Read More »
Okay, let’s put some context. I arrive in Nice and I have 2 months to develop and implement a few data post-processing routines in a plasma simulations code. The code currently stores files with data of thousands of particles that …
As much as neural networks keep exhibiting their importance, featuring in the success records of several research works. Building good performing neural networks models do not come by easily due to some factors like finding the most suitable parameters for …
Supercomputing: a good resource for deep learning application Read More »
You may wonder how can we study and, more importantly, predict a material feature such as mechanical stability, thermal conductivity and so on. The answer is: solve the Schrodinger equation! Simple right? Right? … Well not that easy. The most …
Is it possible to know the depth of the sea just with a photo? How? Yes, it´s possible. This is what I´ve been researching this summer and I´m here to explain you how I did it. Introduction We call the …
Discover how we can know the depth of the sea with just a photo! Read More »
How are the materials made? How do electrons and ions arrange in a stable structure? Is your material a metal or an insulator? Is it opaque or transparent? Finally, is it a good nuclear fuel? Density Functional Theory (DFT) is …
So, what is Kokkos? Modern high performance computers have diverse and heterogeneous architectures. For applications to scale and perform well on these modern architectures, they must be re-designed with thread scalability and performance portability as a priority. Orchestrating data structures …
The deuterium-tritium fusion reaction. Red are protons, grey are neutrons. © Dominik Freinberger My last blog post was devoted to giving an introduction on what molecular dynamics, the method I am working with this summer, is. In this post I …
Teleportation might seem a fancy expression and you might think it’s only possible in fictional world. However, it’s the reality in quantum communication. No quantum information is actually being transferred between sender and receiver during the process except the must …
Antiviral Drug Development with MM-PBSA Calculations This SoHPC Project aims to carry out HPC based Computational Screening for novel variants of the TAT-I24 peptide with improved binding affinity to ds-DNA. The antiviral peptide targeted in our project is TAT-I24. The …
N body simulations are fundamental in many areas of research. For example, if we want to predict how galaxies evolve or how molecules interact with each other you have to compute the Gravitational or Coulomb interactions. Computational complexity The first …
It goes without saying that the physics of an earthquake is complicated. This, in combination with the complex structure of the earth’s crust, makes the effects of earthquakes difficult to predict. Luckily, high performance computing and numerical models are the …
As explained at the first post, my current project will make use of a supercomputer located at University of Luxembourg, called Aion which consists of 318 compute nodes, totaling 40704 compute cores, with a peak performance of about 1,70 PetaFLOP/s. This means …
Generating random variables from an arbitrary distribution is a surprisingly difficult task, and Hamiltonian Monte Carlo (HMC) solves this challenge in an elegant way. Let’s consider a multivariate target distribution , with parameters . Most Markov Chain Monte Carlo (MCMC) …
It has been 6 weeks in the Summer of HPC and I realized I had not written a blog post that gives an insight into what we are doing. In this blog post, I would like to talk about the …
For instance, the advent of self-driving cars like the Autopilot by Tesla, the Audi pilot driving system, speech to recognition, pixel recursive super resolution of video games, recommender system application from e-commerce like Amazon suggesting suitable products, to social media …
Are you amazed by the technological advancements of the world lately…? Read More »
Developing new drugs to act against COVID-19 is a current major necessity. Yet, before launching a new drug product into the market there are many steps that need to carefully followed, since the pharmaceutical industry is one of the most …
Little bit of background The data acquired for this project is from a biomass combustion simulation inside a furnace, this involves intricate physical phenomena and due to this complexity requires the use of High-Performance Computing (HPC) platforms. In this simulation …
