Institute of Advanced Studies in

THEORETICAL CHEMISTRY

Quantum Chemistry: From Birth to Nowadays

The founders of quantum chemistry were primarily physicists and applied mathematicians drawn to the subject by the richness and complexity of many electrons atomic and molecular systems. Per-Olov L¨owdin, a Swedish theoretical physicist at the University of Uppsala and concurrently at the University of Florida, founded the Quantum Chemistry Department in Uppsala in 1955. Joseph Oakland (Joe) Hirschfelder, an American physicist who participated in the Manhattan Project and was a professor at the University of Wisconsin, founded the University of Wisconsin Theoretical Chemistry Institute (TCI) in 1959.
The members of TCI included applied mathematicians, physicists, engineers, and chemists. Charles Coulson, a Professor of Mathematics and the director of the Mathematical Institute at the University of Oxford, was appointed to the newly created chair of theoretical chemistry in 1972. The development of increasingly powerful computers in the 1960s influenced the development of theoretical algorithms that enabled the numerical solution of many-electron problems that could not be solved before. It is no wonder that many of the directors and heads of the first supercomputer centres were theoretical chemists. We can say that quantum chemists of those times conducted multidisciplinary research that combined applied mathematics, physics, and chemistry. The outputs of these multidisciplinary efforts were the development of Quantum Chemistry Packages that eventually became accessible to all, without the need to be a theoretician to run them.

Today, these packages are widely used by organic, inorganic, and physical chemists, as well as material scientists. The Institute of Advanced Studies at the Technion aims to maintain this interdisciplinary research tradition within the Chemistry Department at the Technion. This is in the spirit of Ruben Pauncz, the founder of Quantum Chemistry in Israel, who came to Israel as a refugee from Hungary in 1956 and was among the first in Western universities to teach undergraduate students quantum mechanics from a chemistry perspective, emphasizing mathematical theorems and computational algorithms. When the Department of Computer Science was established at the Technion, Ruben Pauncz delivered a course on using methods and algorithms for solving many-body problems. Nowadays, the members of IASTC are also members of the Quantum Helen Diller Centre at the Technion, where other members are from the Physics, Computer Science and Engineering Departments.

Prof. Ruben Pauncz

(2021– 1955)
The "Father" of Quantum Chemistry in Israel
The Keynote teacher in international summer schools (at Uppsala, Sweden) and Sanibel winter schools (at Florida, USA) on Quantum Mechanics for chemists

Prof. Joseph Oakland (Joe) Hirschfelder

Founder of the University of Wisconsin Theoretical Chemistry Institute (TCI) in 1959

Prof. Per-Olov L¨owdin

(1916-2000)
Founder of the Quantum Chemistry Department in Uppsala in 1955

Prof. Charles Coulson

(1910-1974)
A Professor of Mathematics and director of the Mathematical Institute at the University of Oxford, was appointed as chair of theoretical chemistry in 1972

Brief History of IASTC

The foundation of IASTC was of Prof. Brian Silver when he served as the vice president for development in the Technion at 1998. He asked the young Prof. Nimrod Moiseyev to serve as director of the Technion IASTC and asked for his needs. Prof. Asher Mandelbaum agreed to give a large space to the Institue on the second floor. The focus was at that time on open large space with terminals and servers for the students affiliated with IASTC as well as rooms for the students. Invitated scientists participated in workshops, brainstorming meetings and group meetings. About 1 million sterling's were donated by the English Technion. As time passes with the development of computational technology the home of IASTC was reconstructed with a donation from Schulich given to Prof. Alon Hoffman who was the Dean of Chemistry at that time. The new modern Institute was reopened by Prof. Noam Adir the Dean of Chemistry at 2018
During the first years IASTC international conferences were organized and invited short and long term visit Professors from USA, Europe, and Far East. As for example, Prof. Phil Certain and Prof. Frank Weinhold from University of Wisconsin at Madison, Prof. Erkki Brandas from University of Uppsala, Prof. Roland Lefebvre from Paris and CNRC Lab at Orsay (who was regular annual visitor for several decades), Prof. Pavel Jungwrth from Academy of Sciences of the Czech Republic, Prof. Claude Leforestier from Paris 13, Prof. Erick (Rick) Heller from Harvard, Dr. Hossein Sadigpour, head of ITAMP at Harvard, Prof. Juergen Korsch from Univeristy of Kaiserlautern, Prof. Lenz Cederbaum from Heidelberg, Prof. Daniel Neiuhaser from UCLA, Prof. Sabre Kais from University of Perdue, Prof. Eva Maria and Prof. Vitali Averbukh from Imperial Collage, Prof. Koichi Yamishaita, Prof. Nammochi Hatano from University of Tokyo, Prof. W.H. (Bill) Miller from the University of California at Berekely, and Sir. Prof. Michael Berry from Bristol University England.
Among the conferences organized by IASTC we may highlight the workshop of the Israel science Foundation on "Photo-induced non-linear dynamics in strong laser fields" in 1998 at the Technion.