CSI CCSC
@CcscCsi
Chemistry in Solution and at Interfaces: A Computational Chemical Science Center funded by the DOE
You might like
Registration has been extended until tomorrow, May 3rd! Come join us at Princeton this summer for talks and hands-on-sessions relating to ML-potentials, enhanced sampling and more!
Roberto Car’s CSI to host an open workshop for PhD students/postdocs, “Deep Modeling for Molecular Simulation,” June 25-28 @PrincetonChem. Lectures a.m., hands-on sessions p.m. All welcome. Register here by April 30: forms.gle/fepGn5yjDjz3R6… More info: bit.ly/3xNs4QI
See below an excellent opportunity to work with me and other researchers at NanoGUNE in a vibrant and international environment in the beautiful city of Donostia-San Sebastián. Contact me if you are interested in applying. The topic will be ML applied to molecular simulation.
🔬Combined Master + PhD Positions 🔬 🗓️ Deadline: 29/02/2024 👉 ow.ly/k8T050QvjzI #física #química #biología #ingeniería #MasterThesis #PhDThesis
Our @CcscCsi work on the origins of the dielectric decrement in salt water, led by the amazing Chunyi Zhang, now out in @PhysRevLett!
The work at @CcscCsi by Chunyi Zhang, @ShuwenYue, Thanos Panagiotopoulos, Michael Klein, and Xifan Wu on the dielectric permittivity of salt water was accepted to @PhysRevLett ! You can read the highlight on the Science magazine here: science.org/content/articl…
New paper! With @PiaggiPablo, we continue our investigation of water's metastable phase behavior using neural network potentials. We explore the melting curves of ice polymorphs and examine their relationship to water's liquid-liquid transition pubs.aip.org/aip/jcp/articl…
The work at @CcscCsi by Chunyi Zhang, @ShuwenYue, Thanos Panagiotopoulos, Michael Klein, and Xifan Wu on the dielectric permittivity of salt water was accepted to @PhysRevLett ! You can read the highlight on the Science magazine here: science.org/content/articl…
Congratulations to Hong-Zhou Ye and Lune Maillard for winner the best poster prizes at the "Deep Modelling for Molecular Simulation 2023" workshop!
New preprint on arXiv. Using molecular dynamics we find critical behavior in a system of chiral molecules. We believe this symmetry-breaking transition could provide an alternative explanation for the origin of biological homochirality. See arxiv.org/abs/2306.06746
Our cover art in ACS Polymers Au related to sequence patterning effects for single-chain nanoparticles. Although not a conscious thought during design, we love how the tone turned out with the journal's color scheme #MyACSCover article here: pubs.acs.org/doi/full/10.10…
Our latest work characterizing hole defect states at Zn-doped hematite/water interfaces is out now in @ACSCatalysis. Thanks to @DingClarissa and Annabella Selloni @CcscCsi @PrincetonChem for more insights and teamwork on oxide/water interfaces! pubs.acs.org/doi/10.1021/ac…
Applications are open for the @cecamEvents PLUMED Flagship School in Lausanne, July 3-6 2023. More details about how to put an application together 👇 github.com/plumed/cecam20…
Check out our new preprint about ice polymorphs and water's liquid-liquid transition (LLT)! arxiv.org/abs/2302.08540 Work done in collaboration with @tgartner_3, Car @CcscCsi, and Debenedetti @Princeton @PrincetonChem. Read about its significance below 👇
The registration is now open for our workshop “Deep Modeling for Molecular Simulation” on July 11-14 at Princeton University. Top-notch speakers such as @GroupTuckerman, @MineralsCloud, @OmarValsson, and many others. Hands-on sessions with state-of-the-art methods. More info 👇
Our latest work on electron transfer across MgO-water interfaces is now in @J_A_C_S! Kudos to @DingClarissa who did an outstanding job bringing AIMD and Marcus theory together! @CcscCsi @PrincetonChem pubs.acs.org/doi/full/10.10…
Really happy to share the capstone work from my time at Princeton. We used ML potentials to show first principles-level evidence for supercooled water's liquid-liquid transition. journals.aps.org/prl/abstract/1…
I enjoyed very much this conversation with Eliane Eisenring from @Trivadis. We talked about ML in molecular simulation and our recent @PNASNews article on ice nucleation. This is work at @PrincetonChem @Princeton made possible by a @snsf_ch fellowship and a grant from @doescience
The work at @CcscCsi by Chunyi Zhang, @ShuwenYue, Thanos Panagiotopoulos, Michael Klein, and Xifan Wu on the dielectric permittivity of salt water was accepted to @PhysRevLett ! You can read the highlight on the Science magazine here: science.org/content/articl…
MIT Technology Review @techreview just published a very nice article on our recent PNAS paper. Thanks! You can read it using the link below technologyreview.com/2022/08/11/105…
By combining artificial intelligence and quantum mechanics, Princeton researchers have simulated ice formation with unprecedented accuracy. @Princeton @doescience @PiaggiPablo @ePrinceton @JackWeis18 research.princeton.edu/news/simulatio…
Our paper on ice nucleation using first principles MD simulations driven by an ML model just appeared online in PNAS. 300,000 atoms with ab initio accuracy! Thanks @snsf_ch @doescience @CcscCsi @DeepModeling @plumed_org for making this possible. pnas.org/doi/full/10.10…
We had a wonderful "Deep Modeling for Molecular Simulation" workshop last week. You can watch the recordings here youtube.com/playlist?list=… and see the tutorials about deepmd-kit on GitHub github.com/CSIprinceton/w… . Thanks @CcscCsi @YifanLi35738914 @DeepModeling @PrincetonChem
github.com
GitHub - CSIprinceton/workshop-july-2022: Deep Modeling for Molecular Simulation, two-day virtual...
Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022 - CSIprinceton/workshop-july-2022
Congratulations to @PrincetonChem's Roberto Car and @CcscCsi, one of the recipients of these advancements grants, announced today. Well done, Roberto!
We have the world's most powerful computer and we're going to use it! @ENERGY is providing $18.3 million for 8 projects to improve simulations of chemical systems & processes relevant to clean energy to ensure they effectively leverage exascale computers: energy.gov/science/articl…
United States Trends
- 1. Clemson 10.1K posts
- 2. #SmackDown 44.8K posts
- 3. Zack Ryder 13.5K posts
- 4. Dabo 1,774 posts
- 5. Steph 32.2K posts
- 6. Landry Shamet 4,956 posts
- 7. Brohm 1,267 posts
- 8. #OPLive 2,162 posts
- 9. Matt Cardona 2,528 posts
- 10. #CLAWMARK3D 28K posts
- 11. Miller Moss N/A
- 12. #BostonBlue 2,506 posts
- 13. Marjorie Taylor Greene 34.8K posts
- 14. Will Richard 4,553 posts
- 15. Massie 45.2K posts
- 16. Kon Knueppel 2,462 posts
- 17. James Harden 3,366 posts
- 18. Bill Clinton 168K posts
- 19. Charles Lee N/A
- 20. Ersson 1,004 posts
You might like
-
COSMO Lab
@lab_COSMO -
Sosso Group
@SossoGroup -
Alessandra Magistrato
@Magistrato_Lab -
Fang Liu
@FangLiu_Emory -
Paesani Lab
@PaesaniLab -
Barak Hirshberg
@barak_hirshberg -
Michael Webb
@xmwebb -
Miguel Caro
@m_a_caro -
Michele Invernizzi
@inve_michele -
Rick Remsing
@rcremsing -
Zachary Goldsmith
@zkgoldsmith -
Vladimir Rybkin
@Vladimir_Rybkin
Something went wrong.
Something went wrong.