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CV

Education:

since 12/2024 Ass.Prof. at the TU Wien, Austria
  for “Machine learning for sustainable chemistry“
01/2022-11/2024 Postdoctoral Fellow at the TU Wien, Austria
  Project: “Computer-aided design of multi-enzyme cascades“
  with Prof. Georg Madsen
01/2020-01/2022 Postdoctoral Fellow at the Massachusetts Institute of Technology, US
  Project: “Computer-aided design of multi-enzyme cascades“
  with Prof. William H. Green
10/2016-12/2019 Doctoral Program Natural Sciences: Chemistry
  University of Vienna, Austria (Supervisor: Prof. Christian Schröder)
  Thesis: “Concepts of solvation dynamics in molecular dynamics simulation”
08/2018-09/2018 Visiting scientist at the University of Maryland Balitmore, US
  Cooperation on ”Prediction of atomic polarizabilities“
  with Prof. Alexander MacKerel
01/2017-02/2017 Visiting scientist at the London Imperial College, U
  Cooperation on ”Atomic polarizabilities of chromophores“
  with Prof. Patricia Hunt
10/2014-09/2016 Master of Science: Chemistry
  University of Vienna, Austria (Supervisor: Prof. Christian Schröder)
  Thesis: “Computational solvation dynamics of oxyquinoline linked to trehalose”
03/2011-07/2014 Bachelor of Science: Chemistry
  University of Vienna, Austria (Supervisor: Prof. Christian Schröder)
  Thesis: “Inter- and intramolecular vibrations in ionic liquids”
09/2010-12/2010 Stay abroad in England and Wales (voluntary work in the social sector)
06/2010 School leaving examination at BG/BRG Keimgasse, Mödling, Austria

Awards and Fellowships

09/2024 ERC Starting Grant “Deep learning of chemical reactions”
06/2024 START Prize of the Austrian Science Fund
08/2022 Austrian Marshall Plan Foundation Poster Award
10/2020 Award of Excellence of the Federal Ministry of the Republic of Austria
  given annually for the 40 best dissertations in all fields
10/2020 Loschmidt Award of the Chemical-Physical Society of Vienna
  given annually to an excellent doctoral thesis in the field of chemistry and physics
07/2020 Karl Schlögl Award of the Austrian Academy of Sciences
  given annually to two awardees for an outstanding doctoral thesis in the field of chemistry
07/2020 Named Rising Star by MIT in the field of Chemical Engineering
10/2019 Schrödinger Fellowship of the Austrian Science Fund for Postdoctoral Studies
04/2018 Best oral presentation at the “2nd Advances in Green Chemistry” conference
03/2018 Selected for the high potential programme “NaturTalente” of the University of Vienna
06/2017 DOC Fellowship of the Austrian Academy of Sciences for PhD Studies
06/2017 Best poster award at the “7th Visegrad Symposium on Structural Systems Biology”
10/2014-09/2016 Two consecutive years: Excellence scholarship (MSc) of the University of Vienna
03/2011-09/2014 Three consecutive years: Excellence scholarship (BSc) of the University of Vienna
06/2010 Ring of Honor (BG/BRG Keimgasse) for outstanding grades at school

Skills

Languages - German (native)
  - English (excellent in word and speech - TOEFL score 2018: 119/120)
Software - Unix
  - Programming in Bash, Python, Cython, Fortran
  - Machine-learning (SciKitLearn, Keras, TensorFlow, PyTorch)
  - Gaussian09, Psi4, CHARMM, LATEX, Gnuplot, MDAnalysis
  - High performance computing
Outreach - Engagement in the Young Investigators Academy at TU Wien
  - Engagement in WoChem (Women in Chemistry) of the University of Vienna
  - Board member of POWER, a network for female Postdocs at MIT
Societies - Chemisch-Physikalische Gesellschaft (CPG)

(c) Copyright 2025 Esther Heid