Junior Group Leader, Theoretical & Computational Chemistry
Welcome to the Computational Chemistry Lab
Our aim is to understand and predict structure formation and reactivity in chemistry. Therefore, we develop multi-level computational protocols using methodologies from Molecular Dynamics to (ab initio) quantum chemistry.
Our main focus is the prediction of reactivity and selectivity in catalysis and in complex molecular systems.
- 46+ Publications
- October 2021
Most Recent
5 days ago
@FeldtMilica I totally feel you. We are so trained to make the right decisions weighing all options that we forget that making mistakes is part of (professional) life too. Opportunities to learn and grow... You got this!
@FeldtMilica I totally feel you. We are so trained to make the right decisions weighing all options that we forget that making mistakes is part of (professional) life too. Opportunities to learn and grow... You got this!
6 days ago
@FeldtMilica I feel like finding a mentor is like finding a good friend. Nothing that you can force but that will happen if you are open to talking to and meeting people. #compchem #AcademicChatter
@FeldtMilica I feel like finding a mentor is like finding a good friend. Nothing that you can force but that will happen if you are open to talking to and meeting people. #compchem #AcademicChatter
Overview
Research
We develop multi-scale modelling protocols to solve chemical problems. A focus is on the elucidation of reaction mechanims and reactivity in (transition-metal) catalysis and in complex systems.
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