Pawel Salek (PhD)

Theoretical chemistry, KTH, Stockholm.

e-mail: pawsa (at) theochem.kth.se
voice : +46 8 5537 8418
fax   : +46 8 5537 8590
mobile: +46 737 863 206

[Project] [Research Group] [Publication List]

I work with low scaling methods for time-dependent density functional theory and contributing to Dalton quantum chemistry program and occasionally contributing to Dirac relativistic program as well. I am member of the steering committee of KTH Computational Science and Engineering Centre (KCSE).

I am currently on a leave of absence, pursuing a career in industry. Feel free to send an email.

Teaching

• Computational Chemistry BB2300
• Advanced Course in Modern Molecular Modeling (ACM3)
• Perl Scripting

First Aid - links

• Frequently Asked Questions about Dalton
• Frequently Asked Questions (for local users)

Downloadable source code

• funclib - a framework for automatic generation of exchange-correlation functionals. The code is licenced under the GNU licence terms. Alternative terms can be negotiated.
• Ram - a program for a calculation of X-ray absorption and scattering cross-sections using 1D wave packet evolution.
• Molecules for testing linear scaling

| Links | Theochem FAQ | local NQS info | Linux Counter |

My fool-the-spammers address.

There is a difference between knowing the path and walking the path.