Tags » Computational Chemistry

Publicación convocatoria Ayudas para la formación de profesorado Universitario FPU-2016

Se han convocado 850 contratos predoctorales de cuatro años para la realización de Tesis doctorales en Universidades y centros de investigación.


Estar matriculados en un programa de doctorado en una universidad española en el curso 2016-2017. 95 more words

Computational Chemistry

Convocatoria de contratos predoctorales para la formación de personal investigador en el marco del Plan Propio de Investigación UCLM

La UCLM ha convocado hasta 30 contratos predoctorales para realizar tareas de investigación con las siguientes características:


23.000 € anuales durante los tres primeros años. 68 more words

Computational Chemistry

Compiling VASP-GPU on MS Azure GPU VM

After a long wait, the GPU VM has become generally available on MS Azure service. I will use it to test the capability of VASP-GPU version before deciding to invest in the pricey GPU servers at our center. 246 more words

Computational Chemistry

What is Machine Learning and How is it Changing Physical Chemistry and Materials Science?

When I talk about artificial intelligence (AI), the usual images that come to mind are from fiction: Hal from 2001: A Space Odyssey, the cyborg from… 1,956 more words

Blog Post

Liquid TNT decomposition forms carbon clusters

It is a well known that oxygen deficient explosives generate large amounts of soot and carbon allotropes. Such is the case for TNT and TATB where some portions of potential energy is trapped in the form of carbonacous clusters. 99 more words

Energetic Materials

The curious case of an Energetic nitroaromatic

Energetic materials are known to be sensitive to pressure loadings. Some of them may decompose faster under high pressure environments while others lag behind with slower rates of decomposition. 116 more words

Energetic Materials