*Experience using GROMACS and Gaussian for QM/MD simulations
*Application expert in Molecular Dynamics simulations
5 KB (702 words) - 13:38, 8 July 2011
...ability to run in "Euler" and laminar mode. Time-accurate and aeroelastic simulations are also possible.
2 KB (215 words) - 12:27, 12 September 2011
...C++ library for interprocess communication in large scale neuronal network simulations
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|description=framework for setting up and analyzing atomistic simulations
511 bytes (62 words) - 12:25, 12 September 2011
...ec.es/products/siesta.php {{PAGENAME}}] (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is a {{#show: {{PAGENAME}} |?description}} based o
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...we would very much like to learn how you run your jobs and what programs, simulations and data analysis your research requires, so we can help you better and pot
1 KB (209 words) - 16:22, 27 February 2017
|description=atomistic and molecular simulations code
603 bytes (74 words) - 12:25, 12 September 2011
...ckage for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT)
522 bytes (60 words) - 12:34, 12 September 2011
...ar is a high-performance ab initio package for both gas and solution phase simulations.
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|description=atomistic and molecular simulations code
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|description=simulation environment for electromagnetic simulations
599 bytes (67 words) - 14:24, 5 October 2011
...mphasize that this parallelisation effort faciliate the more-detailed flow simulations in a complex geometry whose mesh system shall be constructed with lots of m
2 KB (332 words) - 09:41, 31 August 2012
...The code has a long history of HPC development. Recently the larger-scale simulations were successful performed on the Cray XE6 system at PDC, KTH with 32,768 co
1 KB (215 words) - 19:27, 4 September 2012
{{PAGENAME}} is a software suite for performing global climate simulations.
1 KB (146 words) - 10:13, 20 September 2018
{{PAGENAME}} is a software suite for performing global climate simulations developed at the National Centre for Atmospheric Research ([http://ncar.uca
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{{PAGENAME}} is a software suite for performing global climate simulations developed by the Norwegian EarthClim consortium.
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...triolith/ triolith] system. All timing results are calculated from 2 month simulations (Jan-Feb), extrapolated to a full simulated year based on the number of day
4 KB (375 words) - 09:53, 24 November 2014
...sub-models (atmosphere, land, sea ice and ocean) currently used for model simulations.
998 bytes (142 words) - 09:31, 13 October 2015
...eedup of this code will enable us to perform bigger and more detailed flow simulations within a varying range of scientific projects. The ambition is to prepare t
1 KB (175 words) - 13:39, 15 October 2014
...g solutions can be facilitated to provide better support for I/O-intensive simulations and work-flows. (C3SE)
7 KB (1,031 words) - 08:36, 28 February 2020
|description=Computational Chemistry - MD Simulations in Umeå
This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running GROMACS at HPC2N.
1 KB (163 words) - 08:08, 28 February 2020
This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running CHARMM at HPC2N.
* Basics on Molecular Dynamics simulations
1 KB (144 words) - 08:33, 28 February 2020
|description=Course: Computational Chemistry - MD Simulations (NAMD)
|fields=Programming; Chemistry; Simulations
903 bytes (130 words) - 09:13, 28 February 2020
* Molecular Dynamics Simulations
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*** Enabling the GPUs for faster simulations
1 KB (179 words) - 08:26, 28 February 2020
|description=Efficient MD simulations at HPC2N
...MD users with a set of best practices to improve the performance of their simulations. This will be accomplished by tuning the appropriate SLURM switches and fla
1,013 bytes (150 words) - 08:09, 28 February 2020
|description=Efficient MD simulations at HPC2N
...MD users with a set of best practices to improve the performance of their simulations. This will be accomplished by tuning the appropriate SLURM switches and fla
1 KB (154 words) - 08:09, 28 February 2020
|description=ANSYS workshop: Using HPC and Reduced Order Models for ANSYS simulations
Models and simulations are getting more complex, but the demand is to run them faster. The aim of
1 KB (195 words) - 13:06, 25 August 2020
...uld have the knowledge and skills to be able to perform molecular dynamics simulations and simple free energy calculations using GROMACS.
the basics of molecular dynamics simulations,
2 KB (277 words) - 13:20, 25 August 2020
...MD users with a set of best practices to improve the performance of their simulations. This will mainly be accomplished by tuning the appropriate SLURM switches
1,004 bytes (165 words) - 13:55, 23 February 2021
...(SNIC) clusters, the module system, submitting jobs, allocating GPU:s for simulations or graphics and other useful information.
892 bytes (136 words) - 14:46, 11 March 2021
...ndispensable and integrated component in advanced material design, as such simulations provide a microscopic insight into the underlying physical processes. ENCCS
* perform quantum chemical simulations of ground- and excited-state properties on large systems and with efficient
2 KB (258 words) - 14:51, 1 April 2021
...ide users with a set of best practices to improve the performance of their simulations.
1 KB (178 words) - 14:56, 9 November 2021
...module system, submitting jobs, working with Python, allocating GPU:s for simulations or graphics and other useful information.
918 bytes (139 words) - 10:46, 16 March 2022
...(SNIC) clusters, the module system, submitting jobs, allocating GPU:s for simulations or graphics and other useful information.
891 bytes (136 words) - 09:34, 18 October 2021
...ndispensable and integrated component in advanced material design, as such simulations provide a microscopic insight into the underlying physical processes. ENCCS
* Perform quantum chemical simulations of ground- and excited-state properties on large systems and with efficient
2 KB (310 words) - 08:55, 4 February 2022
|description=MD simulations with a focus on NAMD
...let participants learn how to use NAMD to set up basic molecular dynamics simulations, and to understand typical NAMD input and output files.
1 KB (207 words) - 13:38, 28 February 2022
...module system, submitting jobs, working with Python, allocating GPU:s for simulations or graphics and other useful information.
918 bytes (139 words) - 16:53, 12 October 2022
