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 #QuantumComputing, chemistry, physics... 👏

https://news.uchicago.edu/story/uchicago-scientists-observe-first-evidence-quantum-superchemistry-laboratory

#QC #quantum #chemistry #quantumchemistry #computationalchemistry

⚡ 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 👉 https://cloudblogs.microsoft.com/quantum/2023/06/21/microsoft-achieves-first-milestone-towards-a-quantum-supercomputer/

#QC #QuantumComputing #Quantum #HPC #computationalchemistry #azure #research #microsoft

This PhD position is still open
https://twitter.com/SeanHMcMahon/status/1638894052178362368?t=NazS8Z0eGqnVme_z9cp6RA&s=19

#ComputationalChemistry #Mineralogy #Crystallography #Astrobiology

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.

#perseverance #computationalchemistry #compchem

Hey Seattle and CompChem and Structural Bio connections! Just about 3 more weeks until I get to attend my first ASBMB #DiscoverBMB 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.
#structuralbiology #computationalchemistry #ASBMB #DiscoverBMB #imageanalysis

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

Is there any of the #computationalchemistry crowd showing up at #asbmb2023? I don't want to miss any of the good sessions
#compchem #asbmb #mathbio #structuralbiology

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

#ComputationalChemistry #drugdiscovery #ml #compchem #FutureOfChemistry #MLandQuantumMechanics

“(...) 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

➡️ https://hermathsstory.eu/nicola-richmond/

#phd #computationalchemistry #ai #womeninmaths #hermathsstory

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: https://thomasyoungcentre.org/event/tyc-symposium-modelling-phonons-in-materials-2/

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

#TYC #ComputationalChemistry #phonons #materials

Had an awesome time at my first #jmm ... 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!
#jmm2023 #mathbio #computationalchemistry

We wrote an article of #science communication on Deltami about #computationalchemistry , 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: https://lnkd.in/dWfCBbV3

For all things Molecular Dynamics tutorial and best practices, go here: https://livecomsjournal.org/index.php/livecoms/index
#compchem #moleculardynamics #computationalchemistry #science

One deep learning model that I want to try is this one from deepmind
https://www.deepmind.com/blog/simulating-matter-on-the-quantum-scale-with-ai

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

Presentation: I'm a mathematician moving towards data science topics, based in Chile. Some interests:
#geometry #datageometry #discretegeometry #materialscience
#hyperbolicneuralnetwork
#GraphNeuralNetwork #GNNs
#topology #TDA #metricspaces
#equivariantneuralnetwork #enns #convolutionalneuralnetwork #networkscience
#computationalchemistry #dft #pinns
#optimaltransport
#learningTheory #generalization
#expressivity
#marinescience #biodiversity #oceanscience
#phylogenetics

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

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

RT @cressetgroup@twitter.com

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

https://zcu.io/psRc

#compchem #researchjobs #career #jobopportunity

🐦🔗: https://twitter.com/cressetgroup/status/1595454632469626881

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. :blobcatwave:

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.

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

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

#WelcomeToMastodon
#WelcomeToMathstodon