We are excited to announce that Kvantify has been awarded Denmark’s first ‘Business Postdoc Scholarship on Quantum Algorithms or Quantum Software’ from the National Quantum Algorithm Academy (DQAA), operating within the framework of the Danish e-Infrastructure Consortium (DeiC). The project, entitled ‘Mitigating the Cost of Molecular Simulation by Quantum Computing’, will be carried out by Rasmus Berg Jensen (PhD in Chemistry) in collaboration with Aarhus University, Department of Chemistry.
This pioneering initiative bridges academic research and industrial innovation, with the aim of advancing state-of-the-art molecular simulations through quantum technology. Leveraging the power of next-generationforce fields, the project seeks to overcome the long-standing computational bottleneck in simulating biomolecules such as proteins and DNA/RNA, and this could be a prerequisite for dramatically improved accuracy rates. Such an achievementholds major implications for the speed and quality of drug discovery and willpave the way for truly predictive computational approaches in virtual drugdesign.
Enhanced simulations are poised to significantlydeepen our understanding of key biological processes, including:
· predictingbinding free energies of potential drug molecules;
· examiningthe dynamics of molecular binding and unbinding to protein targets;
· exploringfactors that influence protein aggregation;
· assessingstructural and dynamical changes caused by point mutations.
By elucidating such mechanisms, quantum-enhanced simulationscan serve as powerful tools in the development of future therapeutics.
We are extremely proud to lead this landmark collaboration at the intersection of quantum computing and drug discovery,paving the way for scientific and technological advances with real-world impact.