PHENIX lab
@LabPHENIX
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PHENIX is an academic research institute, focusing on the physical chemistry of electrolytes, interfaces, and nanosystems. Hosted by @CNRS and @Sorbonne_Univ_.
Joined March 2021
Happy to share our recent efforts to locate ZIF-4-cp into the ZIF-4 phase diagram via computer simulations. This has been elusive to experimental measurements. Congratulations Emilio Méndez @em_chemist! Very grateful to ERC MAGNIFY @ERC_Research @LabPHENIX
https://t.co/4373obCeQI
pubs.rsc.org
Well-tempered metadynamics simulations are employed to explore the phase diagram of ZIF-4, a porous crystalline metal–organic framework of industrial relevance. Despite the vast amount of experimen...
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"One cannot help but be amazed at how much wisdom is contained in an apparently completely irregular series of numbers." - Smoluchowski. I definitely share this thought now! Our story on inferring dynamics from random counts of particles in boxes is out!
journals.aps.org
A new method for studying the behavior of multiparticle systems relies on a simple ``head count'' of particles in imaginary boxes.
Let me tell you my favorite story about counting! no, not gifts under the tree! By counting particles (colloids, cells, bacteria🦠, bubbles🫧… living things, gifts🎁) in observation boxes, we infer their dynamic properties! We call it *Countoscope*: https://t.co/zhhYcytbZR
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#RésultatScientifique🔎Des chercheurs et chercheuses ont mis au point une méthode expérimentale où le suivi des concentrations de colloïdes plutôt que leurs trajectoires permet de décrire les propriétés dynamiques des colloïdes individuels.
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Au mois d'août, CNRS Chimie vous propose de replonger dans les actualités parues cette année 📅🔭 Le fonctionnement des batteries et supercondensateurs éclairé par des simulations de dynamique moléculaire https://t.co/9v6vdBnVQn
inc.cnrs.fr
Comment relier la performance d’une cellule électrochimique (batterie ou supercondensateur) aux phénomènes microscopiques de transpo
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This review discusses various modeling approaches to understand the electrochemical charge-storage of different #nanomaterials for their potential use as #supercapacitors. @LabPHENIX @EnergyRS2E @UU_University @InstUnivFr
#OpenAccess: https://t.co/a5uXNG33zK
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Correlated Anion Disorder in Heteroanionic Cubic TiOF2 | Journal of the American Chemical Society @LeMansUniv @UniofBath @FaradayInst @ScienceSorbonne
@SorbonneParis1 #Anion #Disorder #Heteroanionic #Cubic #TiOF2
pubs.acs.org
Resolving anion configurations in heteroanionic materials is crucial for understanding and controlling their properties. For anion-disordered oxyfluorides, conventional Bragg diffraction cannot fully...
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Paper alert: Induced charges in a Thomas–Fermi metal: insights from molecular simulations #compchem #comphys @LabPHENIX
tandfonline.com
We study the charge induced in a Thomas–Fermi metal by an ion in vacuum, using an atomistic description employed in constant-potential molecular dynamics simulations, and compare the results with t...
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#chimie ⚗️ #ResultatScientifique 📕 🔎 l Le fonctionnement des #batteries et #supercondensateurs éclairé par des simulations de dynamique moléculaire 🤝 @LabPHENIX @Sorbonne_Univ_ @CNRS_Paris ➡️ https://t.co/9v6vdBnVQn
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Félicitations aux 13 scientifiques de Sorbonne Université ayant été nommés membres de l'@InstUnivFr pour une durée de 5 ans ! 👏👏 👉 Retrouvez leurs noms : https://t.co/u7f8Na4ml4
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The MAGNIFY team is at Lyon ready for FrenchMOF2024! Please come visit @sahar_andarzi's poster and listen to @em_chemist's presention to find out what we are up to.
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Very excited to share another published work on @PNASNews from my postdoc @LabPHENIX. A further step towards a molecular interpretation of impedance. Collaboration with @Cox_StephenJ 's group. @ERC_Research #comphys #compchem
https://t.co/pGdae2uOm0
pnas.org
Nanoelectrochemical devices have become a promising candidate technology across various applications, including sensing and energy storage, and pro...
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Tomorrow, Friday, April 19, noon CEST / 6 am EDT, Konstantin Ivanov Seminar, Anne-Laure Rollet @LaureRollet
https://t.co/7q4poKIeB6 PHENIX lab @LabPHENIX Sorbonne Université, A little journey of NMR relaxometry in the world of tempera paint https://t.co/TjJiQMj7Me
#NMRchat #NMR🧲
sites.google.com
Konstantin Ivanov intercontinental magnetic resonance seminar series started on April 8, 2020. It organises seminars on a range of topics in magnetic resonance covering NMR, EPR, hyperpolarisation,...
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Would you like to join a diverse team of researchers working on modeling MOF self-assembly? A computational chemistry/physics (#compchem #compphys) postdoc position is available in my group @LabPHENIX in Paris funded by @ERC_research. RT highly is appreciated.
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New preprint: Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations
arxiv.org
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and...
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PhD position @LabPHENIX: Self-assembly of charged molecular colloids with model polyelectrolytes
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Formation of Polymer-like Nanochains with Short Lithium–Lithium Distances in a Water-in-Salt Electrolyte | Journal of the American Chemical Society
pubs.acs.org
Water-in-salts (WiSs) have recently emerged as promising electrolytes for energy storage applications ranging from aqueous batteries to supercapacitors. Here, ab initio molecular dynamics is used to...
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First @ERC_Research #ERCStG MAGNIFY article is out! We have explored the amorphization of ZIF-4 and the melting of ZIF-zni through molecular simulation and unveiled mechanistic and thermodynamic details 🌟 https://t.co/NcobCn45cd
pubs.rsc.org
We investigate the microscopic mechanism of the thermally induced ambient pressure ordered–disordered phase transitions of two zeolitic imidazolate frameworks of formula Zn(C3H3N2)2: a porous (ZIF-4)...
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