Tags » Computational Chemistry

A Day in the Life of a Computational Chemist

As you know if you have been following this blog, I have always been fascinated by how the world around us works. Why is the sky blue? 293 more words


New publications: adenine & fullerene-squaraine complexes

There are two new papers by our group just appearing now.

In the first one [1], we present the new implementation of surface-hopping dynamics in Newton-X using CC2 and ADC(2) from Turbomole and TDDFT from G09. 198 more words

Quantum Chemistry

New paper in Computational and Theoretical Chemistry

I always get very happy to have a new paper out there! I find it exciting but most of all liberating since it makes you feel like your work is going somewhere but most of all that it is making its way ‘out there’; there is a strong feeling of validation, I guess. 300 more words

Computational Chemistry

Postdoc position available

A one-year contract as a postdoc associate is available to immediate starting in the group of Mario Barbatti in the Max Planck Institute for Coal Research in Mülheim an der Ruhr, Germany. 104 more words

Quantum Chemistry

advance computatinal chemistry part 4A. Continuum solvation model

Assalamu’alaikum warahmatullahi wabarakatuh…

Wuh, tidak menyangka juga aku menulis bagian ke-4 dari advance computational chemistry di tahun 2012. Oke, kali ini aku ingin melanjutkan tentang pembahasan tersebut. 51 more words

Kimia Komputasi

Internal Symposium at CCIQS - 2014 edition

Once again as every year we celebrate our internal symposium here at CCIQS, and like every year, my students presented some of their progress with their research projects. 328 more words

Computational Chemistry