Entra en la química computacional por la puerta NANO
Silico Studio Blog
by David Abbasi
10M ago
Si estás aquí seguramente sea porque has visto mi poster en la Noche Europea de los Investigadores de Madrid. Por tanto, vas a tener que disculpar mi ausencia, ya que no he podido estar presente junto al poster para explicarte los entresijos y detalles de lo que quería mostraros, porque estoy haciendo una colaboración con el grupo de Química Teórica de Leticia González en la Universidad de Viena, una ciudad donde se fraguó una gran parte de la mecánica cuántica. Para compensar, he creado un pequeño videotutorial, que intenta guiaros paso a paso en la instalación de los requisitos en vuestro or ..read more
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Carbon Nanotubes: another form of carbon for a better future
Silico Studio Blog
by David Abbasi
1y ago
The European Researchers' Night is one of the biggest (not only scientific) outreach events at European level, taking place in many cities in many European countries at the same time. To emphasise the European character of my research project SMINT (Scaling Molecular Intereactions in Carbon NanoTubes: a First Principle, Machine Learning and Spectroscopic Route), I went to present it in Vienna. It was a very rewarding experience! More than 30 groups of children and young people, as well as many adults, some of them also researchers, came to my table with curiosity and left saying that they had ..read more
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How Diamonds Unveiled a Room Temperature Superconductor
Silico Studio Blog
by David Abbasi
1y ago
Have you heard the news? Scientists have recently claimed to have discovered (again) a material that is a superconductor at room temperature! That's right - a material that can conduct electricity with zero resistance, even in everyday conditions (well, not quite, because it needs some pressure). I say 'again' because this is not the first time that such a claim has been made and later retracted. However, if confirmed, it can be a major breakthrough. But how did they make this discovery? Well, it all comes down to a little device called a Diamond Anvil Cell. A Diamond Anvil Cell (DAC) is a sma ..read more
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Cutting-Edge Free Tools To Unlock the Power of Computational Chemistry
Silico Studio Blog
by David Abbasi
1y ago
Computational chemistry is a rapidly developing field that uses advanced computer simulations to study the properties and behavior of chemical systems. In recent years, many cutting-edge open source tools have been developed that allow researchers and scientists to perform complex calculations and simulations on their own computers. These tools offer a wide range of capabilities, from basic quantum mechanics calculations to sophisticated molecular dynamics simulations, and can be used to tackle a wide variety of problems in chemistry, materials science, and other related fields. In this blog p ..read more
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How to Work with JupyterLab Notebooks on Remote Servers In your Local Machine
Silico Studio Blog
by David Abbasi
1y ago
What a boring title! I know! but it is what it is. The idea is to work on a remote server, using the Python packages installed there, but as snappy as if you were working in your local machine; very convenient specially when your workflow requires graphic visualization, your local machine does not have the required resources, or you simply want to have everything in one place and work from anywhere. We will set up our server and local Linux machines using Conda and JupyterLabs. Then we will install Pyiron, an IDE for computational materials science, which installs also other useful packag ..read more
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