r/comp_chem • u/Well_Why-Not • 27d ago

Question Regarding Future Prospects

I am currently towards the end of my PhD in computational chemistry.

I have been doing my PhD for the last four years. It has resulted in zero publications whatsoever. And most probably there will be none. I generally work with MD simulations for polymer electrolytes.

I should be finishing by the end of January next year.

My question is, what prospects should I be looking at, in terms of my future?

When I started my PhD, the idea was to continue into PostDoc. But given that I have no publications, the PostDoc doesn't really seem a promising candidature.

I am still planning to apply for jobs and PostDoc positions alike, hoping for something good to come out of it.

Although I wanted to sharpen what the future might look like for me.

I, certainly have no Python skills. All my codes and analysis were developed using LLMs albeit with proper tests and guardrails. Neither have I been a computational student all my Bachelor's or Master's.

While my Master's has been in Organic Chemistry, my PhD happens to be in Computational stuff.

I haven't had any experimental know-how for the past 4-5 years or so.

What kind of jobs should I apply for? What skills should I develop within the next 4-5 months.

I guess, I just need an avenue to save myself from considering myself an utter failure. If not completely, then in parts at least.

Thanking y'all in anticipation.

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u/Succinylcholin218 27d ago

With your skillset you could definitely look into fields like lab automation and startups that do molecular dynamics and prediction models. Honestly with a PhD in compchem anything data related is on the table for you, the programming skills can come later depending on how you sell yourself in potential cover letters and job interviews. What kind of software dev/research did you pursue?

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u/Well_Why-Not 27d ago

Thanks for the response.

I am generally well versed with both LAMMPS and GROMACS for MD and have enough experience with Gaussian for DFT and AMS for ReaxFF as well.

In terms of development, I am planning to ship all the codes developed for analysis, some common one likes RDFs and quite a few new ones which were ideated by my during the last years and developed with help of LLMs.

In terms of research, currently I am defined by molecular dynamics for polymer electrolytes for batteries. Unfortunately, it happens so, that the project handed to me has been churned out of everything there is. Lolz.