Digital chemistry lies at the intersection between computational, theoretical and experimental chemistry. As a very young field, it is hard to define exactly what digital chemistry is, but we approach chemical problems combining tools from all three worlds, including ab initio modelling, algorithms and software development skills, and data-intensive experimentation and engineering.
I am a digital chemist with a background in both computational and theoretical chemistry. My current interests combine algorithm and pipeline development with highly automated simulations and experimental data to focus on catalysis. Some of the questions I try to answer are “how do we discover new catalysts for a given chemical transformation?” and “how do we define an optimal catalyst in a general way?”. I received my PhD in 2020 in Sorbonne (Paris, France) under the supervision of Prof. Julia Contreras-Garcia. Since October 2023 I’ve been employed as a postdoctoral researcher at EPFL (Lausanne, Switzerland).
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