After all these technical posts I would like to wrap up with a personal one, highlighting my experience and shining a light on the people I met along the way. The Summer of HPC 2022 was a really fun and, …
¡Adiós amigos y amigas! – it was a pleasure working with you! Read More »
As I mentioned before, this project aims to develop a drug against viral ds-DNA, which is associated with Herpes Simplex Virus, Cytomegalovirus, Adenovirus type 5, SV40 Polyoma virus and Vaccinia virus.If viral DNA is blocked, it cannot replicate inside the …
How did We work for the Discovery of Candidate Drug Molecules? Read More »
Unfortunately this moment had to come, and to be honest I barely felt the flow of the time during these 2 months here at Luxembourg, was a really ephemeral summer. But let’s go straight to the good news and present …
My Summer of HPC has been centered around the FMM algorithm which has been roughly explained in a previous post. Studying its fundamentals and its sequential implementation was very interesting but it’s time to say goodbye. I will use this …
Hello everyone! It’s been a while since my first post. And I look forward to giving you more detailed information about the data I’m working on. How is the data structured? There are multiple resources that can be used as …
Curse of Dimensionality! Let’s go deep into the data Read More »
Welcome to my third and final blog post. At the end of the previous post, I briefly explained the goals of this project. I talked about making LQCD simulations to extract a pion mass and find an input quark mass …
Results On Performing Hadron Spectroscopy With LQCD Read More »
OpenFoam is a freely available open source package, widely used in CFD, facilitating the development of custom open source CFD NWT software for WSI problems, including modeling WEC. OpenFoam includes a large number of models, advanced gridding routines and parallelization …
Hello all! In my previous blog post, I described the procedure we follow to calculate the thermal conductivity of damaged Tungsten. This will be my final blog post, and I will share my results. I investigated the thermal conductivity of …
Participating in this program was a very rich experience for which I am very grateful. It was a pleasure knowing my mentors and Tanya, my project partner. Through the whole summer Dr. Gall helped us a lot creating the models …
Thorium sesquicarbide (Th2C3) is a potential candidate as a nuclear fuel for generation IV advanced reactors. The microscopic structure of this compound is shown in the figure. Physicists call that cube unit cell of the material, i.e. the smallest portion …
In this blog post, I will share with you the ideas and goals behind the project 2203 “Neural networks in chemistry- Search for potential drugs for Covid-19“. As the title suggests, we will work on finding potential drugs for Covid-19 …
Developing new drugs for COVID-19 using artificial neural networks? Read More »
In my last update, I mentioned that I applied PCA for all datapoints and the results. But I have hidden an important detail for this post 😉 When we added the explained variance percentages as a result of PCA, we …
As I explained both the methods used as well as the field of application of my project in my last two blog posts, I now want to gather all the information and finally describe which simulations were carried out by …
What is LSTM and why did we choose to use LSTM? LSTM, or long-short term memory, is an artificial neural network model that can process data sequences. This is especially important for time series prediction, as LSTMs can remember long …
In my previous blog post, I mentioned using classical molecular dynamics implemented in LAMMPS. Let’s dig a little into the procedure and learn how we calculate the thermal conductivity of damaged Tungsten. Although there are a massive collection of things …
Simulating the Damaged Tungsten for Thermal Conductivity Read More »
OpenFOAM is a widely used CFD toolbox in academia and industry. It is also used to solve HPC problems related to fluid dynamics. However, some problems can take too much time to execute. For computation-heavy problems, parallel programming can dramatically …
In my project “Heat transport in novel nuclear fuels“, as mentioned in the previous blogs, it is studied the influence of carbon atoms in uranium and thorium compounds in their heat transport. So, in the last weeks of this Summer …
Hello, and welcome back to my blog! Since I published my first blog post, where I introduced this project, I have been learning about genomics and how to analyze DNA on a High Performance Computing cluster. My work has revolved …
Permafrost is an issue that has recently resurfaced in the global media, due to the climate change effects. In short detail, permafrost is part of the ground that continuously remains below 0 °C (32 °F) for a few years, located on land or …
Hello everyone. It’s been a while since my previous post since PRACE SoHPC kept me busy! Before introducing my project to you, I would like to explain some basic concepts to clarify in advance some ambiguous scientific stuff you are …
