Looking for advice on PhD applications in computational chemistry
Hello everyone,
I'm an MSc Chemical Engineering graduate from Türkiye, currently looking for funded PhD positions in Europe. My MSc research focused on computational enzyme engineering and catalytic mechanisms, using DFT/QM calculations, transition-state searches, molecular dynamics, QM/MM simulations, molecular docking, protein modelling, and HPC.
I've been applying to PhD positions in Europe, both closely related to my background and broader computational chemistry positions. I'm particularly interested in computational enzyme design, biocatalysis, and reaction mechanisms, and I really enjoy the computational side of research. However, it is a very niche field, and I wasn't able to find a funded position. I applied to two in Spain that are closely related to the work I have done in my thesis but I haven't heard back.
I've already had a couple of rejections, including one for a computational catalysis position involving DFT, AIMD and machine-learning potentials. My background was relevant, but I didn't have direct experience with heterogeneous catalysis, AIMD or ML potentials.
This has made me wonder how much exact prior experience is normally expected for a PhD. I understand that a PhD is supposed to involve learning new methods and systems, but many advertisements seem to ask for experience with almost everything the project involves.
For those who have experience with PhD admissions/supervision:
Should I mainly target positions closely matching my existing enzyme/computational background? Or is it realistic to transition into a different computational chemistry area during a PhD? How much weight is normally given to exact system/method experience versus transferable computational skills? I really do enjoy enzyme redesign but I am not expecting to be able to find a role that fits me 100 %
I will really appreciate some honest advice :)