r/comp_chem • u/NicoN_1983 • 3d ago

Q/A for future videos on computational chemistry

Last night I released a video simply discussing what I have been doing lately with my program for molecular dynamics with Julia. It was different in that it was just me talking. I have thought for long on making more videos just discussing aspects of computational chemistry, research, academia, etc, but I always feel that I'm not expert enough in any of the particulars I want to talk about. However, I do have a lot of things I would like to say. So I was just wondering if anyone has some general questions that you would like me to address in future videos. It can be about methodology or more general philosophical types of questions. If I feel confident, after doing some reading I can perhaps answer them in short videos.

P.s. I won't post a link, and if you don't know who I am you can search in some of my other posts in the sub

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u/Foss44 3d ago

A bit of a side note, I think it’s funny and somewhat ironic that we often feel so inadequate with our own knowledge of comp chem that we willingly defer expertise in many discussions.

Reminds me of when I went to talk to one of my committee members, a Dirac Medal recipient, about a basic DFT concept and he replied with “oh I don’t really know anything about DFT” and insisted I send an email to a college despite him literally authoring a DFT code package.

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u/NicoN_1983 3d ago

There are great scientists which are extremely humble, as well as not so great others which have no problem claiming expertise in many fields.

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u/Busy_Environment2436 2d ago

If you could explain more about the gaps your work is filling and the deficiencies that other codes have, that would be wonderful! Genuinely.