ETH-Microsoft Workshop on High-Throughput Computational Chemistry

Invited Speakers    Time and Place    Program    Accommodation

We welcome you to attend the first ETH-Microsoft Workshop on High-Throughput Computational Chemistry, which will be held in Zurich, Switzerland. At this event, you will hear firsthand from industry leaders on their perspectives and the challenges they face in the field of computational chemistry, followed by discussions with the audience. On the following two days, you will participate in a hands-on workshop that will provide you with the skills needed to overcome challenges and accelerate computational chemistry at scale by using powerful new tools, such as external page AutoRXN and external page Accelerated DFT in Azure Quantum Elements.

AutoRXN, which is based on ETH Zurich’s Chemoton software, simulates chemical reactions by employing Microsoft Azure’s cloud high-performance computers. AutoRXN reduces reliance on resource-intensive laboratory experiments, thus drastically increasing the productivity of research and development by allowing researchers to spend their time investigating only the most promising candidates. AutoRXN can perform highly accurate quantum chemical calculations, refine results, and collect and evaluate data, saving researchers time and money. See external page this publication for more details.

Accelerated DFT empowers researchers to expedite and scale their chemical discovery pipelines by simulating the quantum-mechanical properties of molecules at an unprecedented speed—an order of magnitude faster compared to other Density Functional Theory (DFT) codes. Our managed DFT service enables researchers to perform substantially faster calculations than other DFT codes and offers a 20-fold average increase in speed compared to PySCF, a widely used open-source DFT code. See external page this publication for more details.

Please find Microsoft's web page covering this event external page here.