News
Researchers from across South Africa gathered in Johannesburg for the Centre for High Performance Computing (CHPC) Conference. The conference was held from the 1-5 of December 2019 and attracted researchers from South Africa’s top research institutions, including Wits University, University of Kwazulu Natal and Stellenbosch University.
The Scientific Computing Research Unit will be a hosting the Biomolecular Reaction and Interaction Dynamics Global Environment (BRIDGE) workshop on Thursday 5th December 2019. Professor Kevin Naidoo will open the workshop which will be presented by Dr Chris Barnett and Mr Tharindu Senapathi (PhD student). Dr Gerhard Venter presented a talk entitled "Predicting Thermodynamic Properties of Ionic Liquids — from Molecular Simulation to Machine Learning". Emre Kaya, Tharindu Senapathi, Tomás Bruce-Chwatt, Lenard Carroll and Tayla Wilson all presented posters at the conference. Lenard Carroll won 1st prize for the poster presentation.
The Scientific Computing Research Unit at the University of Cape Town is hosting its 10th annual Scientific Computing International Lecturer Series (SCILS).
The 2019 SCILS will be in the form of an interactive Workshop entitled “The link between Machine Learning and Machines” including some applications of Deep Learning & AI which will conducted by industry leaders from IBM OpenPower, Mellanox and NVIDIA.
Dr Rizqah Kamies joined the Scientific Computing Research Unit in 2017 as a postdoctoral fellow. Rizqah managed the Cancer Translation Laboratory and worked on testing computational designs of key cancer targets inhibitors.
Dr Chris Barnett attended the Galaxy Community Conference 2019 in Freiburg, Germany. He presented on "Galaxy Computational Chemistry" and overviewed his collaborative research on creating computational tools, the BRIDGE platform (see the publication) and the Galaxy computational chemistry community. Applications for the tools include investigation of molecular conformation, protein dynamics and bio-orthogonal sugars. Tools for analysis of bio-orthogonal sugars and post analysis of ab initio MD simulations are in further development. Many of the tools are currently available at https://cheminformatics.usegalaxy.eu in collaboration with Björn Grüning, Simon Bray and the University of Freiburg.