BioExcel webinar: Temperature and pressure control using first-order stochastic algorithms
Practical examples using GROMACS will be included
Learn about algorithms for controlling temperature and pressure in molecular dynamics simulations - this is important so results from simulations and physical experiments can be compared realistically.
Time: Tue 2023-11-14 15.00 - 16.00
Location: Online
Language: English
Presenter
Giovanni Bussi, International School for Advanced Studies (SISSA)
Webinar details and registration link
For more details about this webinar, including the link for registering, see: bioexcel.eu/webinar-temperature-and-pressure-control-using-first-order-stochastic-algorithms-2023-11-14 .
Contact
About BioExcel
BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. The centre was established in 2015 and is led by KTH/PDC. The BioExcel webinar series covers a broad range of topics related to the latest developments for supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.