I am shamefully copying this post from Linkedin but if you happen to know any candidate, do not hesitate to reach:

It's on. To my #ComputationalChemistry network, I am calling on you.

The PM2E team in the CIMAP laboratory (www.cimap.ensicaen.fr) is looking for a #PhD hashtag#candidate. The goal of the project is to understand key parameters in #semiconductor defects stability and physics (both vacancies and color centers, see for example: https://doi.org/10.1016/j.nimb.2022.12.025) through the use of
#DFT and #MolecularModeling. The end goals of the project is concerned with application for #QuantumComputing through the making of stable #qubit. Collaboration and communication with experimentalists will be part of the project.

If you're interested in #MolecularDynamics, #MonteCarlo simulations, or DFT and quantum calculations, we are waiting for you. We are using codes such as #Lammps and #QuantumEspresso. We are looking for a candidate finishing or already having a master degree (or equivalent diploma) with training in #physics/ #MaterialsScience / #TheoreticalChemistry. Any experience in programming using #Python, #C and the #Linux environment would be considered a plus.

The position is located in Alençon (Orne) between Caen and Le Mans. Founding is assured for relevant candidates.

Link to the offer (in french, you can ask for an english version): https://www.abg.asso.fr/en/candidatOffres/show/id_offre/127985/job/simulation-atomistique-de-defauts-crees-par-irradiation-dans-les-semiconducteurs

A #superbug with a protein armour?! If you would like to use #structuralbiology, #computationalchemistry and #imaging to study #Cdiff #BugSlayer to find new ways to pierce that armour, this is the #PhD! #MicroSky #MolBio #AcademicSky https://www.findaphd.com/phds/project/bbsrc-nld-doctoral-training-partnership-piercing-the-armour-c-difficile-s-layer-permeability/?p165084
Pls share!
https://salgadolab.org/

We are recruiting a PDRA in Research Fellow in AI and Computational Chemistry. This position is to lead activities in the exciting project Adopting Green Solvents through Predicting Reaction Outcomes with AI/Machine Learning (EP/X021033/1). Details can be found here: https://jobs.leeds.ac.uk/Vacancy.aspx?ref=EPSCH1089. #openposition #greenchemistry #aiapplications #computationalchemistry

Excited to see the advancements in drug discovery! Integration of ML and quantum mechanics holds great potential for predicting complex chemical reactions in drug design

https://pubs.acs.org/doi/10.1021/acs.chemrev.1c00033

Now that our instance has a higher size limit for toots, time for a re-#introduction. This time with more hashtags!

Hi! I'm Jeff.

I've been a software engineer since around 1999 I guess. I started with #WebDev back in the early days of applets, DHTML, and Flash. I've since moved on to #FullStack work on just about anything that has a compiler or an interpreter. I've even recently dabbled in #PCB design and #3DPrinting.

My software specialties are in high performance computing #HPC, #GPGPU, and #ComputationalChemistry. Although I usually enjoy any programming problem with a good challenge to it. I spent waaay too much time in school and got all the degrees in computer science. I still work in #academia part-time writing research software.

My favorite programming languages at the moment are #Rust and #Kotlin. Although, I've spent a lot of time writing #Javascript lately. With the right tooling it's not completely terrible.

More recently, I've been interested in online #privacy, #cryptography, and #SocialNetworks.

Time for an #introduction! I'm a PhD candidate in #computational #biophysics working on Markov analysis of molecular dynamics #simulations. I also work on weighted ensemble enhanced sampling, and am a core maintainer of the WESTPA project. I do a lot of work with #HPC and #supercomputing clusters as well.

I'm really passionate about bringing best practices from the software development world into computational research!

I love playing with software, and I like playing with #selfhosting a number of services on my #homelab servers, from . Current setup is a Thinkpad laptop that runs the essential services, and a Supermicro quad-socket server with 4x E7-4870s for the fun stuff.

Also really into DIY, including #3Dprinting, #smarthome stuff and #homeassistant -- I spent a couple months designing and building a smart thermostat with a wireless remote thermometer from scratch because my WFH desk was close to a window and got too cold.