January 12 – Using umbrella-sampling (“pulling”) simulations
January 13 – Using replica-exchange molecular dynamics
January 14 – Using applied-weight histogram methods (“AWH”)
January 15 – Computing trajectories efficiently on GPUs
This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Germany, Bulgaria, Austria, Croatia, Cyprus, Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, United Kingdom, France, Netherlands, Belgium, Luxembourg, Slovakia, Norway, Switzerland, Turkey, Republic of North Macedonia, Iceland, Montenegro.