A Voyage From Molecules to Materials with Numerical Methods for Quantum Chemistry


Join us for this coastal adventure into the recent progress in numerical methods for quantum chemical calculations.

Traditional quantum chemical methods are being pushed to the limit of their capabilities due to the growing focus on high accuracy and large non-periodic systems. The need for innovative approaches is now manifest.

Real-space numerical methods are a promising alternative: they are mathematically robust, very accurate and well suited for modern, massively parallel computing resources. However, they are still not a mainstream activity in quantum chemistry: their current computational overhead, their memory footprint and the lack of widely available software with standard features are among the challenges that need to be overcome.

The goal of NMQC is to gather interdisciplinary scientific expertise to promote a fruitful exchange of ideas and spur progress in the development of this field.


Time and place:

January 11-15, 2015, Hurtigruten cruise ship Tromsø-Kirkenes-Tromsø.

Departure from Tromsø:

Sunday 11.01.15 at 18.30. (Return Wed.14.1.15 at 23.45). The night 14.1-15.1 will be spent in a hotel in Tromsø, with a final morning session 15.01.

IMPORTANT NOTE: Participants need to arrange their trip to Tromsø, making sure they will be in town in advance of the ship's departure (18.30). We stress that the ship is a regular Coastal Express and we cannot ask to delay the departure, should anybody be late.

Conference fee: 

From 2200 to 5920NOK depending on status (student/regular) and room preferences (single/double cabin).

PCCP Special issue:

In connection with NMQC, the PCCP will publish a special issue on "Real-space numerical grid methods in quantum chemistry". All conference participants are encouraged to submit a contribution.

DFT meeting in Oslo (8-10 January):

Before NMQC, there will be a meeting in Oslo entitled "Fundamental Aspects of DFT". The meeting is orgainized by Prof. Trygve Helgaker. For mor information, please visit the website.


Organizers NMQC:

Luca Frediani (University of Tromsø) and Dage Sundholm (University of Helsinki)

with help from: Kathrin H. Hopmann, Stig Rune Jensen, Roberto Di Remigio, Stig Eide





Published Dec. 9, 2013 12:25 PM - Last modified Jan. 10, 2015 5:07 PM