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June 2012
Uppsala: Multiscale materials modelling
To push the boundaries of e-science closer to realistic applications, development of methods and models at all levels is needed, from the electronic scale to coarse-grained simulations. In particular, we must find ways to combine methods in a powerful and creative fashion to bridge the different time and length gaps in a seamless fashion. The national e-science programme eSSENCE - where Uppsala University, Lund University and Umeå University are partners - now welcomes you to the meeting http://essenceofescience.se/materials-2012/ At this…
Find out more »August 2012
Uppsala: The 35th CERN School of Computing
The 35th CERN School of Computing will be held at the Uppsala University, Sweden from Monday 13th of August to Friday 24th August 2012 Programme highlights The CERN School of Computing 2011 is organised around 3 thematic themes, each theme comprising lectures and exercises. Do you know how to bridge Grids and Clouds using virtualization technology? Is it possible to simplify LHC physics analysis using virtual machine? How can reliable storage services be built from unreliable hardware? Why are tapes…
Find out more »Symposium on in silico prediction of site-of-metabolism
Date/time: August 20, 2012, at 13.00-17.00 Location: Scheelerummet, BMC, Uppsala Registration: ola.spjuth@farmbio.uu.se (free of charge) The cytochrome P450 enzyme family is the major contributor to phase I metabolism, accounting for 75% of the metabolism of marketed drugs. Site-of-metabolism prediction aims at pinpointing the sites in a molecule that are most liable to metabolism, providing decision support in the drug discovery process. This symposium will feature presentations with focus on current methods and tools for predicting site-of-metabolism, but also to present…
Find out more »Workshop on the SCAILD method and similar computational approaches in Lattice Dynamics
WORKSHOP ON THE SCAILD METHOD AND SIMILAR COMPUTATIONAL APPROCHES IN LATTICE DYNAMICS 27-28 AUGUST 2012 IN UPPSALA Organized by Uppsala University Initiative of Universite de Liege PROGRAM
Find out more »October 2012
Uppsala: Efficient and Reliable Simulation of Quantum Molecular Dynamics (disertation)
Dissertation presented Uppsala University to be publicly examined in 2446, Polacksbacken, Lägerhyddsvägen 2, Uppsala, Friday, October 19, 2012 at 10:00 for degree of Doctor of Philosophy. The examination will be conducted in English. Abstract: Kormann, K, 2012, Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 970, 52 pp. Uppsla, ISBN 978-91-554-8466-8. The time-dependent Schrödinger equation (TDSE) models the quantum nature of molecular processes. Numerical simulations based on the TDSE help in understanding and predicting the…
Find out more »Uppsala: Mini-Workshop: Topics in Numerical Quantum Dynamics
Mini-Workshop Topics in Numerical Quantum Dynamics Uppsala University, October 19 2012 Background: During the last decades, new experimental techniques have enabled studies of the dynamics of chemical reactions. This has triggered intense research also in theoretical quantum dynamics, where a time-resolved description of chemical reactions is derived by solving the time-dependent Schrödinger equation (TDSE) for wave functions evolving on coupled potential energy surfaces. Numerical methods for the TDSE have been developed, analyzed and used by numerous researchers in both numerical…
Find out more »November 2012
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY will take place this week, namely Thursday 12 Nov. Details below. ********************************************************* Time: At 15.15 on Thursday 15 Nov 2012 Room: Ångström 4001 Contents: Two speakers 2 x (~18 + 5) minutes 1. Christopher Castleton (Nottingham Trent University) "Can one calculate isolated defects in a periodic system? How far can you get with extrapolation?" 2. Jacko Koster (SNIC Director): "The landscape for the Swedish National Infrastructure for Computing" 3. Short…
Find out more »Uppsala: Computational Materials Science/Electronic Structure meeting
Computational Materials Science/Electronic Structure meeting A meeting between SNIC application experts and users within Computational Materials Science and Electronic structure will be held in Uppsala on Friday 30 Nov starting from 10.00. A preliminary agenda is attached below. Everyone interested are welcome ! part 1: 10.00 - 12.00 Application expert + advanced users within Computational Materials Science/Electronic Structure application expert projects done during the year and current/new projects overview of codes and their issues SNIC introduction part 2: 13.15 -…
Find out more »February 2013
Celsius-Linné lectures and symposium 2013
Welcome to the 2013 Celsius-Linné lectures and symposium: Lectures: Thursday 14 February 14:00-17:00 in The Svedbergsalen (B8) BMC Celsius lecture: The Challenge of Future High-Performance Computing Prof. William J. Dally, Stanford University and Chief Scientist NVIDIA Linné lecture: Molecular Cell Biology via Bio-Image Informatics Prof. Gene Myers, Director of Max Planck Institute for Molecular Cell Biology and Genetics Symposium: "Science at the Edge of Computing" Friday 15 February 9:00-17:00 in Häggsalen, Ångström lab More information available at http://www.teknat.uu.se/forskning/celsius-linne/ Best regards,…
Find out more »March 2013
UPPMAX Workshop on Python and VTK for Visualization
UPPMAX will give a two day workshop on introduction to Python programming and VTK for Visualization. Focus will be on how to read your own data and visualize it using Python and the Visualization Toolkit. Several examples will be discussed and there will be exercises where you will be helped to create both simple and advanced 3D visualizations. There will also be time to discuss your visualization needs. Both days will start 10:15 with an introduction (2x45) minutes and there…
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