Dr. Dilshana Shanavas Rasheeda

Research interests

• Identify and evaluate data sources and in-silico tools for obtaining physicochemical properties
• Develop a systematic workflow using these tools to allow small and large scale generation of data sets for training Graph Neural Networks
• Integration of the gained experience into existing in-house computational approaches to improve their predictive power

Curriculum vitae

• 2013 - 2018 Integrated MSc in Chemistry NISER, Bhubaneshwar, India
  Master’s thesis: ‘Studying the atomic level mechanism of the hydrolysis of propylene oxide using computational tools’
• 2019 - 2022 PhD in Chemistry, Georg-Universitaet Goettingen, Goettingen, Germany
  Thesis title: ‘Vibrational Frequencies of Molecular Systems using High Dimensional Neural
  Network Potentials’
• 2023 - Current Scientist-Post Doc Department of Computational Biology, Helmholtz Centre of Environmental Research

Ongoing project

• Analysis and assessment of Toxcast data for predictive modelling purposes in toxicology.