Quantum computation or simulation of quantum many-body systems could enable us to carry out extremely time-consuming calculations in a significantly lower amount of time, thereby promising future applications in topics such as drug design. Quantum simulation/ computation could also enable us to explore possibilities of quantum engineering using photons, as well as tackle issues related to climate modelling.

  • Atomic and molecular calculations are known to be very difficult in not only their theoretical complexity, but very importantly in terms of the tremendous computational resources that they demand.
  • Such computations on heavy atoms and molecules can, in principle, take several months to complete, even if we are given significant memory and storage.
  •  Quantum computing/ simulation promises a way out, by allowing for speed-up when compared to their classical counterparts. In fact, quantum chemistry on quantum computers has been identified as a killer application of quantum science and technology.
  • At CQuERE, we carry out atomic and molecular calculations using quantum algorithms (simulation as well as on quantum computing hardware): near-term (VQE), fault-tolerant era algorithms (QPE and HHL), and quantum annealing algorithms. 
  • Our recent publications can be found here
  • In the long-term, when CQuERE has its own quantum devices, we can integrate our home-grown algorithms and programs with our machines to extend the applications to ambitious and outstanding problems such as drug design. 

We are also working on the following problems: 
  • Dynamics of quantum systems in lattices. 
  • QEC and fault tolerant quantum computing theory.