Quantum chemistry has evolved from its beginnings at the turn of the century aided by continuous computational developments from early computer technology in the 1940s, into a huge field in its own right. It is now applied to nearly all fields of scientific interests, such as medicine, pharmaceuticals, engineering, biology, and materials science. Now it is again on the verge of several frontiers due to new developments in computer science both on the software and hardware side. The purpose of the “Novel computing approaches to quantum chemistry” workshop will be to examine and push further several of these innovative approaches by inviting experts in the various new and emerging subfields of quantum chemistry.

To achieve the goal of examining new ways of understanding and using computers in quantum chemistry, we hope to combine leading methodology developers with experts from the fields of matrix product states, quantum computational simulations and big data machine learning. This will give an appropriately wide breadth of expertise to be explored within the five day time span of the proposed workshop. To facilitate the exchange of ideas, we will arrange appropriate introductory tutorials among the workshop talks.