Jarvist Moore Frost

@Jarvist
278 Followers
311 Following
73 Posts
Physicist working in a Chemistry department.

What's the best software in 2024 to setup a GROMACS workflow?

My beloved hacking stuff together with awk and bash I used to do 15 years ago during my PhD, I feel is slightly suboptimal.

#compchem #GROMACS

Academia is really just The Chocolate Game (from the 1980s).

The rules: Kids sit in a large circle & roll two dice in turn. If you roll two sixes, you go to the middle, put on a hat, coat, gloves, scarf, and then you can eat a huge bar of chocolate with a knife & fork. But if another kid rolls a double six, it's their turn & you're out.

Kids only see the choc. Teachers know they're not getting it.

My research is the chocolate. Academic admin is the dice, the clothes & the knife and fork. Boo

Apropos the current excitement on the ArXiv, I re-post my 2017 Valentines poem. #CondensedMatter #SuperConductor #LovePoem

The Monte Carlo method as a psychiatric disorder?
I mean, not totally implausible, but still!

#Academia #CompChem #MonteCarlo

Funded (£20,410 4-year tax-free stipend) PhD positions available with me at Imperial College London

#PathIntegrals, #DFT, #CompChem, #MachineLearning, #GaussianProcesses, #JuliaLang, #MonteCarlo, excitement, adventure and really wild things!

Next interview round closing Friday 14th July 2023 .

More details and exemplar projects in this Google doc: https://docs.google.com/document/d/1wiG-T8uqgq_-h-Btu1tecmdrZbK-zS006eB6BKGqFgI/edit?usp=sharing

2023-01_FrostGroupPhDAdverts

2023 Frost group PhD adverts Overview / TL;DR Introduction Research Group Motivation / Philosophy Eligibility Funding Notes How to apply Project 1: Simulating charge transfer and recombination at an upconverting organic semiconductor interface Project 2: Modelling mixed electron ion conduction ...

Google Docs

@mikelech I learnt C a long time ago, and it is my favourite language along with Julia. I think they fit together very well - C is much more minimal and closer to the hardware, but you are forced to get very intimate with memory structures & do everything with functions, which is very similar to how I program Julia.

I don't know anything much about Rust, but I find the zealotry a bit off putting, and it seems as complex as Julia, whereas C is very compact.

New hardware!
That most wonderful time of the year.

I always find it hilarious taking a £5k computer, and then using a <£1 memory stick given away as a freebie at a conference to install Debian on it...

[ HP Z8 G4, 2x XEON 6226R 2.9GHz 16C, 256GB ECC RAM (8x32GB), NVIDIA RTX A4000 (16GB, 6144 cores, Ampere system). So heavy I needed a sack truck and a PhD student to get it to the office. ]

@lonepair Steiner's maths book, which I do not like.

There's lots of books on the first year's reading lists, but I'm not sure which, if any, they actually consult.

A really fantastic reading by Adam Sims of my single favourite #Cyberpunk short story - Burning Chrome by William Gibson.

https://www.youtube.com/watch?v=cZY_QC66sqE

William Gibson – Burning Chrome audiobook (Narrated by Adam Sims)

YouTube

Seeing the 1st year Chemists for one of their first contacts with Quantum Mechanics today. So taking along Styer's 'common misconceptions' to try and start them off on the right track!

Common misconceptions regarding quantum mechanics
American Journal of Physics 64, 31 (1996); https://doi.org/10.1119/1.18288

Is there any alternative / better / more recent version of this idea?