Jürgen Gauss

Jürgen Gauss is a Professor of Theoretical Chemistry at Johannes Gutenberg-Universität Mainz, Germany. With over 350 publications and an h-index of 85 (ISI WebOfScience)/96 (Google Scholar), his work focuses on high-accuracy quantum-chemical methods for energy and property calculations.

• Education: PhD in Theoretical Chemistry (1988), Universität zu Köln
• Positions: Full Professor (2001-present), Associate Professor (1995-2001), Research Associate (1991-1995), Postdoctoral Researcher (1990-1991)

His research revolutionized NMR chemical shift calculations through the GIAO-MP2 scheme, extended to Cholesky decomposition techniques. He pioneered the first CCSD(T)-level analytic second derivatives for magnetic properties and developed the HEAT protocol for sub-kJ/mol thermochemical accuracy.

Scientific Awards:

• Carl-Duisberg Gedächtnispreis (1996)
• Medal of International Academy of Quantum Molecular Science (1997)
• Akademiepreis (2003)
• Gottfried-Wilhelm Leibniz-Prize (2005)
• Foreign Member, Norwegian Academy of Science and Letters (2018)

Advisees: Current PhD students include Sophia Burger, Florian Mast, Max Erichsen, and Malte Hellmann. His group develops the widely-used CFOUR quantum chemistry software package (over 1,000 licenses).