HQS Quantum Simulations hat dies direkt geteilt
Head of High Performance & Quantum Computing @Covestro R&D | Quantum Information Scientist and Software Developer | Founder Quantum Journal
One step closer to making active space methods more easily accessible for high-precision simulations of chemical reactions. I am honored to have contributed to the development of the HQS Quantum Simulations Active space finder and am glad this is now open-sourced. Looking forward to using this for our #quantumcomputing research. Stay tuned for more! Congrats to Maximilian Scheurer, Peter Pinski, and Alexander Zech, without whom the heavy lifting would have been impossible.
Ready to simplify chemical simulations and revolutionize the selection of active spaces in molecules? HQS Quantum Simulations (HQS) introduces an update to its open-source tool, the Active Space Finder (ASF), in collaboration with Covestro, a global leader in polymer materials. 🔬 The latest ASF update aims to revolutionize chemical simulations by simplifying the selection of active spaces in molecules. Selecting the right set of active orbitals can be complex, but HQS and Covestro have joined forces to develop a tool that makes these calculations easier for both experts and non-experts. 💡 With improved robustness and user-friendliness, the updated Active Space Finder offers multiple suggestions for active orbitals, empowering users to choose the most suitable option for their specific needs. 🎤 “By analyzing the interaction and entanglement of electrons in the orbitals, the Active Space Finder enables a deeper understanding of molecular systems. We will leverage this tool to gain valuable insights and improve our understanding of complex chemical processes in the field of polymer materials”, says Dr. Christian Gogolin, Head of High Performance & Quantum Computing at Covestro. 👉 Press Release: https://lnkd.in/eJ3H7JYH Visit https://lnkd.in/emu3ktdr to learn more about the Active Space Finder and download the Open Source Tool. #quantumchem #Chemistry #QuantumSimulations #ChemicalSimulations #Innovation #QuantumNews