Etienne Palos @EtiennePalos
Using data to connect theories in chemical physics @PaesaniLab | @NSF GRFP + @SloanFoundation at @UCSanDiego | Husband & dad. Tijuana/San Diego Joined January 2018-
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#compchem: would you like to become an awesome wizard at using @QuantumESPRESSO ? Join us for the 2024 Quantum Multiscale School on Quantum ESPRESSO! #Embedding #Python #MaterialsScience Did I mention we are going to help you with your own project? 🔥 quantum-multiscale.org/schools.html
[2405.01834] 3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors #compchem arxiv.org/abs/2405.01834
Extremely happy for Wesley Wang, who I just learned about today… but wow! Darren Aronofsky getting in touch and wanting to produce your first full-length feature? Seriously, that’s as sick as it gets!
Extremely happy for Wesley Wang, who I just learned about today… but wow! Darren Aronofsky getting in touch and wanting to produce your first full-length feature? Seriously, that’s as sick as it gets!
Thankful for the opportunity of being a guest on STEM From! We talked about life “on the border”, being a PhDad and why theoretical chemistry is my favorite thing to do! You can also find the episode on @Spotify, @amazonmusic and other platforms! 🔊open.spotify.com/episode/54lt0K…
Thankful for the opportunity of being a guest on STEM From! We talked about life “on the border”, being a PhDad and why theoretical chemistry is my favorite thing to do! You can also find the episode on @Spotify, @amazonmusic and other platforms! 🔊open.spotify.com/episode/54lt0K…
🌟 Inspiring insights into his journey in #compchem 🖥️ as a 🇺🇸🇲🇽 transborder student from our very own @EtiennePalos on the latest @2STEMFrom podcast!🎙️ Tune in to learn why @UCSanDiego is the perfect place to realize your dreams. 🚀 #ScienceWithoutBorders #rigorouspreciseandfun…
🌟 Inspiring insights into his journey in #compchem 🖥️ as a 🇺🇸🇲🇽 transborder student from our very own @EtiennePalos on the latest @2STEMFrom podcast!🎙️ Tune in to learn why @UCSanDiego is the perfect place to realize your dreams. 🚀 #ScienceWithoutBorders #rigorouspreciseandfun…
Grateful for the opportunity of attending lunch and having a stimulating conversation with Prof. Weitao Yang (@WeitaoYangGroup), whose fundamental work and algorithms have greatly influenced my research @PaesaniLab and ideas. Motivation through the roof! 📝🧑🏻💻
It was great to host Prof. Weitao Yang (@WeitaoYangGroup) from @DukeChemistry today for the Distinguished Lecture in Theoretical and Computational Chemistry and to learn about the latest and greatest developments in #DFT 🖥️ We definitely had lots of fun playing with our…
Our 2024 Distinguished Theory and Computation Lecture at @UCSDChemBiochem was given today by @WeitaoYangGroup @DukeChemistry. Lots of interesting ideas and new insights on #Quantum Chemistry and Dft for strongly correlated electrons! @PaesaniLab
[2404.13231] Relativistic coupled cluster with completely renormalized and perturbative triples corrections #compchem arxiv.org/abs/2404.13231
Best street food in the world: 1.🇮🇩 Siomay 2.🇵🇹 Pastel de nata 3.🇨🇳 Guotie 4.🇮🇩 Pempek 5.🇲🇽 Tacos 6.🇲🇽 Carnitas 7.🇻🇳 Bánh mì 8.🇵🇱 Pierogi 9.🇲🇽 Carne asada tacos 10.🇲🇽 Gringas 11.🇲🇽 Tacos al pastor 12.🇲🇽 Esquites 13.🇲🇽 Cochinita pibil 14.🇲🇾 Roti canai 15.🇨🇳 Pan-fried pork buns…
@m_hennefarth developed analytic gradients for L-PDFT. This is a wonderful feature for studying photochemical processes and excited states. Check the paper using the following link: pubs.acs.org/doi/10.1021/ac… @UChiChemistry @gagliardi8 @DonT19
New preprint, & Colin's first paper in the group, on fluctuations in local electronic symmetry in halide perovskites: arxiv.org/abs/2404.11247 Connects vibrations to local electronic symmetry & anharmonicity to electronic rotations 🌀🌀🌀
So sick! Check out this article in @ChemistryWorld on @KellyHunter19’s work on many-body simulations of water in MOFs!
So sick! Check out this article in @ChemistryWorld on @KellyHunter19’s work on many-body simulations of water in MOFs!
We have an opening for a postdoc position. Want to develop quantum machine learning methods for nonequilibrium states? Join us! #CompChem #Physics psi-k.net/jobs/postdoc-p…
Way to go, @EtiennePalos! 🚀
🎉 Big welcome back to campus for Cianna! After overcoming significant challenges (gofund.me/8edab25f), she's back to her #compchem research 🖥️. Stay tuned for what’s coming next!! 🚀 #phdlife #phdchat #rigorouspreciseandfun @UCSanDiego @UCSDPhySci @UCSDChemBiochem…
Congratulations to the fifth class of UC President’s Lindau Nobel Laureate Meetings Fellows, 27 highly accomplished young scientists awarded the opportunity to join Nobel laureates from around the globe at the 2024 Lindau Nobel Laureate Meeting in Germany. bit.ly/4cOD4NU
Our work with @timgould_scienc on the challenges of machine-learned DFT is now in the @PCCP Emerging Investigators Collections. Congratulations to @HengZ_921 on his first paper just six months into his PhD! pubs.rsc.org/en/content/art…
Congrats to oneAPI CoE PI Dr. @awgoetz on delivering an excellent presentation: "Powering Amber Molecular Dynamics Simulations on GPUs with SYCL" at IWOCL For slides and recording: iwocl.org/iwocl-2024/pro… #IamIntel #oneAPI #SYCL
In August I will be joining @UTDallasChemBio to start my research group! Thank you to many (@duarte_group , @EdAndersonGroup, @mhg_group, ...) for your support. You can find out about my group's plans here: labs.utdallas.edu/sterling/ More very soon... @UT_Dallas @UTDScience
Pratyush Tiwary @tiwarylab
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2K Followers 3K Following Theoretical chemist @CNRS @LCPQ_UMR5626 developing @quantum_package among other things #compchem #ercCoGPaesani Lab @PaesaniLab
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688 Followers 400 Following "Reticular" inorganic chemistry. Dincă Lab at MIT. Blender and entomological enthusiast.Hongbo Zhao @hbozhao
282 Followers 650 Following Princeton Bioengineering Initiative - Innovators (PBI2) Distinguished Postdoc Fellow @Princeton, Ph.D. in ChemE @MIT, B.S. @Tsinghua_UniNaOH Bartfield 🧪 @NaOHBartfield
7K Followers 2K Following Ph.D. Candidate @YaleChem (@HerzonLab) - Frederich Lab Alum (@fsuresearch) - NSF Fellow - #CASFutureLeaders 2024 - Complex Molecule Synthesis - ✡︎Did I mention we will cover all expenses for the first 30 students? PhD and postdocs as well as other early career researchers welcome! #compchem
...and did I mention about the awesome team of instructors? - Our Boise State host @MateriaLab_BSU - Pirates from UCSD @PaesaniLab - Your truly & lab members (@XuechengShao Xin @jessica941205 and Valeria)
#compchem: would you like to become an awesome wizard at using @QuantumESPRESSO ? Join us for the 2024 Quantum Multiscale School on Quantum ESPRESSO! #Embedding #Python #MaterialsScience Did I mention we are going to help you with your own project? 🔥 quantum-multiscale.org/schools.html
[2405.01834] 3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors #compchem arxiv.org/abs/2405.01834
"The main reason for Fortran's resurrection (ranked #10) is the growing importance of numerical/mathematical computing. [It's] fast, having native mathematical computation support, mature, and free of charge." tiobe.com/tiobe-index/
This is a really great opportunity to join GDM.
Alex @SashaVNovikov is by far one of the brightest scientists I know, and his @GoogleDeepMind team is making impactful and fascinating contributions to advancing mathematics with AI. Highly recommend it!
Everything is prediction, compression and Kolmogorov’s complexity. All we now need is Conformal KAN (CKAN). Powered by Kolmogorov complexity. #conformalprediction #kan #kolmogorovcomplexity
En 🇨🇦 mucha gente lo confunde con día de la independencia y tiene vibra como de Sant Patrick day ☘️
El novio tico me manda un audio preguntando qué vamos a hacer el 5 de mayo, que él tiene el día disponible para que hagamos un plan. Yo: pero qué se celebra? Ah, 5 de mayo, no festejamos el 5 de mayo. El novio:
Check out our new preprint! arxiv.org/abs/2404.18737 In collaboration with @mrossinek and @ITavernelli at @IBMResearch, we developed an active space embedding method that couples @CP2Kproject with @qiskit to perform hybrid quantum-classical calculations on molecules and materials
#CaneloMunguia || DECISIÓN UNANIME Saúl ‘Canelo’ Álvarez derrotó a Jaime Munguía… “Mi timing fue la clave, él es un gran peleador. Sabía que podía hacerlo y me siento muy orgulloso. Yo quiero demostrarles a ustedes que soy el mejor”. #CanelovsMunguia
I would be willing to pay a large sum of money to never have to use 2FA ever again...
Intested in KAN: Kolmogorov-Arnold Networks? arxiv.org/abs/2404.19756 Fair, I guess everyone is 🙃 Good that @ZimingLiu11 will join us on Mon May 13th 11am EDT, to discuss it in our Zoom reading group. Sign up for reminders or join our slack here: portal.valencelabs.com/logg
Meanwhile in Pittsburgh #StarWarsDay
Interfacing the path-integral code PIMD with @CP2Kproject to conduct DFT calculations in conjunction with @OAndreussi’s self-consistent continuum solvation (SCCS) method, the catalytic cellobiose hydrolysis and glucose hydrogenation was elucidated: doi.org/10.1016/j.cple… #CP2K
(May the Force be with you!) Here’s a look at the vector field learned by a normalizing flow for water's electron density (orbital-free DFT framework). author: @Alegendree collab: @RickyTQChen 📜:arxiv.org/abs/2404.08764 #StarWarsDay #MayThe4th #CompChem
*A Primer on the Inner Workings of Transformer LMs* by @javifer_96 @gsarti_ @AriannaBisazza @costajussamarta I was waiting for this! Cool comprehensive survey on interpretability methods for LLMs, with a focus on recent techniques (e.g., logit lens). arxiv.org/abs/2405.00208
Thanks everyone for cheering applause and constructive criticism. I wrote a few paragraphs responding to the recent KAN hype. In short, I think it is too early to say KANs will replace MLPs, but there are indeed many interesting directions to explore. github.com/KindXiaoming/p…
I'e very excited about our AI latest paper, which shows that an architecture radically different from standard neural network achieves much better accuracy with fewer parameters for interesting physics and math problems. arXiv:2402.05110
MLPs are so foundational, but are there alternatives? MLPs place activation functions on neurons, but can we instead place (learnable) activation functions on weights? Yes, we KAN! We propose Kolmogorov-Arnold Networks (KAN), which are more accurate and interpretable than MLPs.🧵
I'm excited that people are so interested in our latest paper!
1/n Math Meets AI: Kolmogorov-Arnold Networks Unleash the Power of Composition Imagine a world where deep learning models, the enigmatic engines driving the AI revolution, are no longer shrouded in mystery. What if we could peer into their inner workings, understand their…
I never in my wildest dreams thought that one of our nerdy AI papers would end up in a meme...
@IntuitMachine KANs are amazing!