Tags » Computational Chemistry

WATOC 2014 - Virtual edition

I had a blast last week at WATOC2014 in Santiago de Chile! It was a wonderful opportunity to find old friends, meet new ones and listen to some exciting research done around the world, as well as some of the classics such as Pekka Pyykkö, who was awarded the Schrödinger medal. 451 more words

Computational Chemistry

Slides of my talk at WATOC 2014

I’m in Santiago de Chile attending the WATOC 2014.

The slides of my talk can be downloaded here: PDF file

Quantum Chemistry

Dial-a-Molecule Network Meeting on omputational Prediction of Reaction Outcomes and Optimum Synthetic Routes

This workshop took place on 10th and 11th September at the Weetwood Hall Conference Centre & Hotel in Leeds, and you can find out more about it on the… 57 more words


radial distribution function (RDF)

assalamu’alaikum warahmatullahi wabarakatuh

ketemu lagi ya :), kali ini aku ingin membahas sedikit tentang analisis trajektori yang biasa dilakukan dalam simulasi dinamika molekular, terutama untuk ion-pelarut. 264 more words

Kimia Komputasi