Hellmann Award

I am happy to announce that the Hellmann prize (“Hellmann-Preis”) 2021 of the “Arbeitsgemeinschaft Theoretische Chemie” (AGTC) was awarded to me, and I would like to express my deep gratitude to the committee.



Please find below the original text and figure from the award certificate:

Dr. Martin Brehm

für die herausragenden Erfolge bei der Entwicklung und Anwendung spektroskopischer Vorhersagemethoden für komplexe Fluide.


Martin Brehm hat mit seinen Entwicklungen spektroskopischer Vorher­sagemetho­den entscheidend zur Berechnung von Schwingungsspektren komplexer Fluide bei­getragen. Die auf Grundlage von quantenchemischen MD-Simulationen berechne­ten Spektren erfassen den vollen Lösungs­mittel- und Temperatureinfluss und erklären die wesentlichen anharmo­nischen Effekte in den experimentellen Linien­formen, was so für Raman-Optical-Activity- und Resonanz-Raman-Spektren bisher kaum möglich war.

About the Award

In accordance with the guidelines, the Hellmann prize is awarded for excellent scientific achievements from the overall field of theoretical chemistry to junior scientists (typically not over 40 years), which do not have a lifetime professorship yet and which are associated with the German-speaking research landscape.

The price is awarded yearly since 1999 (except for 2009 and 2015):

Year Awardee
2023 Prof. Dr. Carolin König
2022 Dr. Sergey Bokarev
2021 Prof. Dr. Martin Brehm
2020 Prof. Dr. Jeremy Richardson
2019 Prof. Dr. Thomas Jagau
2018 Prof. Dr. Bettina Keller
2017 Prof. Dr. Sandra Luber
2016 Prof. Dr. Ralf Tonner-Zech
2014 Prof. Dr. Christoph Jacob
2013 Prof. Dr. Jörg Behler
2012 Prof. Dr. Johannes Kästner
2011 Prof. Dr. Daniel Sebastiani
2010 Prof. Dr. Andreas Köhn
2008 Prof. Dr. Robert Berger
2007 Prof. Dr. Andreas Dreuw
2006 Prof. Dr. Michael Thoss
2005 Prof. Dr. Frank Neese
2004 Prof. Dr. Christof Hättig
2003 Prof. Dr. Georg Kresse
2002 Prof. Dr. Klaus R. Liedl
2001 Prof. Dr. Uwe Manthe
2000 Prof. Dr. Andreas Görling
1999 Prof. Dr. Willem M. Klopper

Hans G. A. Hellmann (1903–1938), born in Wilhelmshaven on October 14, 1903, studied experimental physics in Stuttgart. As a postdoc in Hanover, he focused on the new science of quantum chemistry. He discovered the molecular virial theorem and derived the nowadays well-known Hellmann–Feynman theorem. Furthermore, he anticipated several basic concepts explaining the nature of the chemical bond. He developed the “diatomics in molecules” approach and in particular the effective core potential method for molecules and solids, all this already in 1933/34. In 1937, he completed one of the first textbooks on quantum chemistry, covering and illuminating all essential topics, including intermolecular interactions as well as diabatic and adiabatic reactions. Hans Hellmann was forced to leave Nazi Germany in 1934, he changed to the Karpov institute in Moscow, where he was liquidated during the “great terror” on May 29, 1938.

Source: Short Biography of Hellmann