Rene Schulte · @rschu
589 followers · 280 posts · Server arvr.social

First evidence of ‘quantum superchemistry’ in lab ✨

The reactions happen collectively for multiple atoms, rather than atom by atom which is faster and also resulting in same output state.
Big implications for , chemistry, physics... 👏

news.uchicago.edu/story/uchica

#quantumcomputing #qc #quantum #chemistry #quantumchemistry #computationalchemistry

Last updated 1 year ago

Rene Schulte · @rschu
571 followers · 263 posts · Server arvr.social

⚡ Significant Quantum news from Microsoft! ⚡

🧪 Azure Quantum Elements

🤖 Copilot for Azure Quantum

📃 New peer-reviewed paper confirming Microsoft Research recent breakthroughs with Majorana Zero Modes

Learn more 👉 cloudblogs.microsoft.com/quant

#qc #quantumcomputing #quantum #hpc #computationalchemistry #azure #research #microsoft

Last updated 1 year ago

C. Pimentel :tardis: · @doclomieu
223 followers · 1761 posts · Server fediscience.org
Girinath Pillai · @giribio
49 followers · 26 posts · Server mas.to

Always remember that every failure is a stepping stone to success.
Understand why things failed try to solve step by step.

Keep pushing forward and never give up on your goals.

#compchem #computationalchemistry #perseverance

Last updated 2 years ago

Miranda Lynch · @MirandaLynchPhD
287 followers · 222 posts · Server mathstodon.xyz

Hey Seattle and CompChem and Structural Bio connections! Just about 3 more weeks until I get to attend my first ASBMB conference. Come stop by my poster, and see the imaging work I am up to! Total bonus: my poster is during the ice cream 🍦 event.

#ImageAnalysis #asbmb #computationalchemistry #structuralbiology #discoverbmb

Last updated 2 years ago

Carter T. Butts · @CarterButts
2 followers · 5 posts · Server mstdn.science

Comparative modeling of extremophilic carboxypeptidases, with a side of "why you may be better off with iTASSER than AlphaFold." mdpi.com/2218-273X/13/2/328

#structuralbiology #computationalchemistry

Last updated 2 years ago

Miranda Lynch · @MirandaLynchPhD
273 followers · 193 posts · Server mathstodon.xyz

Is there any of the crowd showing up at ? I don't want to miss any of the good sessions

#structuralbiology #mathbio #asbmb #compchem #asbmb2023 #computationalchemistry

Last updated 2 years ago

Girinath Pillai · @giribio
49 followers · 18 posts · Server mas.to

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

pubs.acs.org/doi/10.1021/acs.c

#mlandquantummechanics #futureofchemistry #compchem #ml #drugdiscovery #computationalchemistry

Last updated 2 years ago

Her Maths Story · @hermathsstory
146 followers · 10 posts · Server mathstodon.xyz

“(...) I did what felt right at the time, and I would never have imagined that I'd end up using my skill-set to find life-changing medicines for patients.” - Nicola Richmond

➡️ hermathsstory.eu/nicola-richmo

#hermathsstory #WomenInMaths #ai #computationalchemistry #phd

Last updated 2 years ago

Martijn Zwijnenburg · @ZwijCompChem
169 followers · 67 posts · Server fediscience.org

Thursday the 26th of January (2-4 pm, XLG1 Lecture Theatre, UCL Chemistry building) we are organising a Thomas Young Centre symposium on modelling phonons in materials and the role they play in mechanochemistry, explosive detonation & heat transport: thomasyoungcentre.org/event/ty

Speakers will be Dr. Adam Michalchuk (Birmingham), Prof. Carole Morrison (Edinburgh) & Dr. Jonathan Skelton (Manchester).

#materials #phonons #computationalchemistry #tyc

Last updated 2 years ago

Miranda Lynch · @MirandaLynchPhD
261 followers · 138 posts · Server mathstodon.xyz

Had an awesome time at my first ... so many great talks, and got to meet a lot of new folks. 5 stars ⭐ ⭐ ⭐ ⭐ ⭐ , would do again!

Special thanks to organizers of the Computational Biomedicine session. Great session!

#computationalchemistry #mathbio #JMM2023 #JMM

Last updated 2 years ago

AlexCrimi · @AlexCrimi
151 followers · 33 posts · Server mstdn.social

We wrote an article of communication on Deltami about , you can find it in the January number in most kiosks and bookshops... IT IS IN POLISH! Just kidding somebody else wrote it, my Polish is not so good.

You can also find it online at page 8-9: lnkd.in/dWfCBbV3

#computationalchemistry #Science

Last updated 2 years ago

Dr Anthony Nash · @acnash
8 followers · 3 posts · Server mastodon.social
MoiYo · @Moyocoyani
1 followers · 1 posts · Server graphics.social

One deep learning model that I want to try is this one from deepmind
deepmind.com/blog/simulating-m

This is a DL model which tries to enhance DFT calculations on molecules in terms of delocalization and spin symmetry-breaking.

Seems quite interesting 🤔

#quantumchemistry #machinelearning #deeplearning #DFT #molecularmodeling #computationalchemistry #molecularsimulation

Last updated 2 years ago

Mircea · @mircea
19 followers · 20 posts · Server masto.ai
Martijn Zwijnenburg · @ZwijCompChem
158 followers · 59 posts · Server fediscience.org

Some photos of the 2nd day of the energy materials workshop of the Thomas Young Centre

#computationalchemistry #tyc

Last updated 2 years ago

Martijn Zwijnenburg · @ZwijCompChem
156 followers · 55 posts · Server fediscience.org

Good first day of this year's Thomas Young Centre's energy materials workshop

#computationalchemistry #tyc

Last updated 2 years ago

Jordi Faraudo · @jfaraudo
7 followers · 68 posts · Server mstdn.science

RT @cressetgroup@twitter.com

Are you a PhD-level scientist with a background in and/or molecular modeling, ideally in the field or similar?

zcu.io/psRc

🐦🔗: twitter.com/cressetgroup/statu

#computationalchemistry #DrugDiscovery #compchem #ResearchJobs #career #JobOpportunity

Last updated 2 years ago

Jeff Martin · @cuchaz
178 followers · 330 posts · Server gladtech.social

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

Hi! I'm Jeff. :blobcatwave:

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

My software specialties are in high performance computing , , and . 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 part-time writing research software.

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

More recently, I've been interested in online , , and .

#introduction #webdev #fullstack #pcb #3dprinting #hpc #gpgpu #computationalchemistry #academia #rust #kotlin #javascript #privacy #cryptography #socialNetworks

Last updated 2 years ago

Ada · @recombinatrix
6 followers · 6 posts · Server mathstodon.xyz

So I guess I should do an . Hey folks. My name's Ada. I use She and Her.

Someone told me this place lives in hastags, so: I'm an student in , using to study membrane/protein interactions. I like , , , s , and whenever someone shows me me their working on something really weird. I'm extremely excitable about scientific figures.


#WelcomeToMathstodon #welcometomastodon #rabbit #procgen #biophysics #realtimechem #moleculardynamics #computationalchemistry #phd #australian #introduction

Last updated 2 years ago