Ursula Röthlisberger

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Ursula Röthlisberger at the 11th European Conference on Theoretical and Computational Chemistry

Ursula Röthlisberger (born 1964 in Solothurn ) is a professor for computer-aided chemistry or chemoinformatics at the École Polytechnique Fédérale de Lausanne . She works on density functional theory taking into account quantum mechanical and molecular mechanical methods. She is co-editor of the American Chemical Society Journal of Chemical Theory and Computation and a member of the American Association for the Advancement of Science .

Life and education

Röthlisberger studied physical chemistry at the University of Bern . She obtained her diploma in 1988 under the direction of Ernst Schumacher. She worked as a doctoral candidate for Wanda Andreoni at IBM Research - Zurich . She wrote her dissertation in collaboration with Wanda Andreoni and subsequently started her postdoc position at IBM Zurich until 1992 . Röthlisberger then moved to the University of Pennsylvania to work with Michael L. Klein . In 1995 she moved to Germany to work in Michele Parrinello's laboratory at the Max Planck Institute for Solid State Research . Together they examined nanoscale silicon clusters using the Car Parrinello method .

Research and career

Röthlisberger was appointed assistant professor at ETH Zurich in 1996 . In 2001 she was the first woman to receive the Ruzicka Prize from the Swiss Federal Institute of Technology in Zurich . In 2002 she joined the École Polytechnique Fédérale de Lausanne as associate professor and was appointed full professor in 2009. In 2005 she became the first woman to be awarded the Dirac Medal of the World Association of Theoretical and Computational Chemists .

Röthlisberger works on density functional theory and extends the Car-Parrinello method to include QM / MM simulations in a code called CPMD. QM / MM systems treat the electronically active part of a molecular structure as a quantum mechanical system, while the rest of the molecule is treated classically with the help of molecular mechanics . She uses her hybrid Car-Parrinello systems to study enzymatic reactions to design biomimetic compounds. Röthlisberger has also extended QM / MM to transitions from the ground state to the excited state, which makes it possible to predict the photo-induced charge separation and the electron transfer . She also works on ab initio simulations of biological systems and has added the van der Waals interactions of macromolecules to density functional theory. She has used her simulations for various applications, including the design of new materials for photovoltaics and research into the mechanisms of action of chemotherapy . In 2017, she showed that taking Auranofin while taking RAPTA-T increased the activity of the cancer drug.

She teaches classes in Monte Carlo simulations and molecular dynamics .

Mentoring and engagement

Röthlisberger supports young women scientists and is committed to mentoring young women researchers. She also wrote a contribution to the book A Journey into Time in powers of ten . She deals with scientific art, which is regularly used in the journals in which she publishes.

Awards

Individual evidence

  1. ↑ Ursula Röthlisberger. Accessed April 30, 2020 .
  2. ↑ a b c d Prof. Ursula Roethlisberger - LCBC. Retrieved April 30, 2020 (UK English).
  3. ^ A b S. WI swissinfo.ch, a branch of the Swiss Broadcasting Corporation: Woman wins a top chemistry prize. Accessed April 30, 2020 (English).
  4. ↑ Ursula Röthlisberger, Wanda Andreoni, Michele Parrinello: Structure of nanoscale silicon clusters . In: Physical Review Letters . tape 72 , no. 5 , January 31, 1994, pp. 665–668 , doi : 10.1103 / PhysRevLett.72.665 ( aps.org [accessed April 30, 2020]).
  5. ^ Nik Papageorgiou: Ursula Röthlisberger wins 2016 Doron Prize . March 14, 2016 ( epfl.ch [accessed April 30, 2020]).
  6. ↑ a b Dirac - medal. Accessed April 30, 2020 .
  7. ↑ The Code - The CPMD code. Retrieved April 30, 2020 (American English).
  8. ↑ a b c d e EuChemS Lecture Award 2015. In: EuChemS. July 19, 2017, accessed April 30, 2020 (American English).
  9. ^ 'Metal' drugs to fight cancer. Accessed April 30, 2020 (English).
  10. ↑ The RNA that snips and stitches RNA. Accessed April 30, 2020 (English).
  11. ↑ Positive side effect: Better cancer therapy thanks to an extra kick from anti-rheumatism agents. Retrieved April 30, 2020 (Swiss Standard German).
  12. ^ Professor Dr Ursula Röthlisberger. Retrieved April 30, 2020 (American English).
  13. ^ Anna Garry, Thomas Feurer: A Journey into Time in Powers of Ten . vdf Hochschulverlag AG, 2016, ISBN 978-3-7281-3752-4 ( google.ch [accessed April 30, 2020]).
  14. ↑ LCBC Covers - LCBC. Retrieved April 30, 2020 (UK English).
  15. ↑ Ursula Röthlisberger elected to the International Academy of Quantum Molecular Sciences :: NCCR MUST. Accessed April 30, 2020 .
  16. ↑ Ursula Röthlisberger received the Doron Prize 2016 - Prizes and awards - News - nccr-marvel.ch :: NCCR MARVEL. Accessed April 30, 2020 .
  17. ↑ Bernard Marks: ZUG: A Prize for Charity. Accessed April 30, 2020 .
personal data
SURNAME Röthlisberger, Ursula
BRIEF DESCRIPTION Swiss chemist and university professor (chemoinformatics)
DATE OF BIRTH 1964
PLACE OF BIRTH Solothurn