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Lucille Kuster

@lucillekuster.bsky.social
89 followers 86 following 10 posts

PhD candidate in Raman spectroscopy, computational chemistry & astrochemistry 🌌👩🏻‍💻🧪 || Montreal 🇨🇦 || figure skater ⛸️ || she/her 🏳️‍🌈

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Reposted by Lucille Kuster
FACCTs @faccts.de · 14/05/2025
ORCA 6.1 (@faccts.de & @orca-qc-official.bsky.social) will bring many exciting new features. In the next weeks, we would like to preview some of them for you today starting with spectroscopy. Stay tuned for more! #ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky #NMR #EPR #Raman
Ney spectroscopy features in ORCA 6.1.
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Reposted by Lucille Kuster
Chemistry World @chemistryworld.com · 27/03/2025
Exoplanets orbiting a star 133 light years away contain a far greater abundance of carbon than the star itself, according to the first direct spectral data of this kind captured by the James Webb Space Telescope (JWST).
chemistryworld.com
JWST reveals exoplanet composition with unprecedented clarity
Direct evidence of carbon enrichment in the planets around HR 8799 provides clues to their formation
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Reposted by Lucille Kuster
Astrobiology @astrobiology.bsky.social · 09/03/2025
Theoretical Study of Aromatic and N-heterocycles: Potential Carriers of Interstellar Aromatic Infrared Bands astrobiology.com/2025/03/theo... #astrobiology #astrochemistry #interstellar #astronomy
astrobiology.com
Theoretical Study of Aromatic and N-heterocycles: Potential Carriers of Interstellar Aromatic Infrared Bands - Astrobiology
Heterocycle compounds that contain nitrogen play important roles in astrobiology and terrestrial biology
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Reposted by Lucille Kuster
Mario Barbatti @mbarbatti.bsky.social · 05/03/2025
We’re introducing Legion, a powerful tool for Multiple Spawning simulations with high flexibility! 🔹 Multiple quantum chemistry interfaces 🔹 Diverse methods & couplings 🔹 Full periodic table support 🔹 Built on Newton-X infrastructure #CompChemSky 🧪 doi.org/10.1021/acs....
doi.org
Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics
Nonadiabatic molecular dynamics is crucial in investigating the time evolution of excited states in molecular systems. Among the various methods for performing such dynamics, those employing frozen Ga...
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Reposted by Lucille Kuster
Bernardo de Souza @bernadsz.bsky.social · 02/03/2025
There's an open position with Prof. Frank Neese, together with Prof. Stefan Grime to work on the next gen. of xTB in ORCA. Two of the most brilliant people out there in #compchem within a great group environment. It's a one-of-a-kind opportunity here! I have seen some data, g-xTB will be a blast.
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Reposted by Lucille Kuster
FACCTs @faccts.de · 19/02/2025
The paper on ORCA 6’s Global Optimization Algorithm GOAT is finally published at Angewandte Chemie! Feel free to try Bernardo's (@bernadsz.bsky.social) algorithm to generate conformer ensembles and much more. doi.org/10.1002/anie... Tutorial on GOAT: www.faccts.de/docs/orca/6.... #ORCAqc #ChemSky
doi.org
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
In this work, we propose a new Global Optimization Algorithm (GOAT) for molecules and clusters of atoms and show how it can find the global energy minima for both systems without resorting to molecul...
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Reposted by Lucille Kuster
Mathieu Frenette @frenette.bsky.social · 07/02/2025
I recently gave a crash course in fluorescence and photochemistry that I usually give in French, but translated to English for students at the University of Toronto. There are lots of tangents, but it's jam packed with (what I think could be) useful information. Enjoy! youtu.be/8cot-rCAYqA
youtu.be
Fluorescence and Photochemistry Crash Course
YouTube video by Mathieu Frenette
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Lucille Kuster @lucillekuster.bsky.social · 04/02/2025
Congratulations! 🥳
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Reposted by Lucille Kuster
Bernardo de Souza @bernadsz.bsky.social · 03/02/2025
The Global Optimization AlgoriThm - GOAT - paper was accepted! Will post more once there is more info 🐐 And here is the algorithm folding an Alanine10 for now as a teaser 😆
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Lucille Kuster @lucillekuster.bsky.social · 04/02/2025
Ordinary Monday ⛸️❄️ #iceskating #montreal
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Lucille Kuster @lucillekuster.bsky.social · 28/01/2025
Having fun as a TA in the undergrad lab! Check out this sodium emission experiment with a pickle ⚡️ #chemistry #bluechem #uni #uqam
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Reposted by Lucille Kuster
Shining Science @shiningscience.com · 13/12/2024
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
scihb.com
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
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Lucille Kuster @lucillekuster.bsky.social · 29/11/2024
Merci!
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Lucille Kuster @lucillekuster.bsky.social · 28/11/2024
Thrilled to have won the best poster award at the Bio-Chemverse Symposium at @uqam.ca !🎉 Even got a little trophy to take home 🥹✨ #chemsky #chemistry #science #womeninSTEM #academia @chimieuqam.bsky.social
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Reposted by Lucille Kuster
Jasmine 🌌🔭 @astrojaz.bsky.social · 25/11/2024
WAKE UP BABE, A NEW JWST IMAGE OF THE SOMBRERO GALAXY DROPPED!!! 🌌
The galaxu is a very oblong, blue disk that extends from left to right at an angle (from about 10 o’clock to 5 o’clock). The galaxy has a small bright core at the centre. There is a clear inner disk that has speckles of stars scattered throughout. The outer disk of the galaxy is whiteish-blue, and clumpy, like clouds in the sky.
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Lucille Kuster @lucillekuster.bsky.social · 24/11/2024
Happy Sunday! ☕️ 🥐 #sunday #coffee
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Reposted by Lucille Kuster
UQAM | Université du Québec à Montréal @uqam.ca · 23/11/2024
«On peut rappeler qu’à seulement 34 ans, Taylor Swift a à son actif 11 albums studio, 6 tournées mondiales, des centaines de prix et qu’elle fait partie du club sélect des milliardaires.» Danick Trottier, professeur titulaire de musicologie #UQAM
lapresse.ca
L’une des clés du succès de Taylor Swift
Alors que la fièvre de la swiftmania s’abat sur Toronto et que la reine de la pop conclura sa tournée Eras à Vancouver en décembre prochain, les discussions abondent dans les médias par rapport aux ra...
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Reposted by Lucille Kuster
Mario Barbatti @mbarbatti.bsky.social · 21/11/2024
🚨 Our latest study on the dynamics of pyrene excimer is now published in PCCP! #MachineLearning & TDDFT show how molecular reorganization dominates pyrene excimer fluorescence. doi.org/10.1039/D4CP... #CompChem #Photophysics 🧪
doi.org
Conformational dynamics of the pyrene excimer
The conformational dynamics of the pyrene excimer play a critical role in its unique fluorescence properties. Yet, the influence of multiple local minima on its excited-state behavior remains underexp...
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Lucille Kuster @lucillekuster.bsky.social · 21/11/2024
Wow 🥹 Just saw Wicked and it was absolutely INCREDIBLE! 🩷💚 #Wicked #MusicalMagic
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Lucille Kuster @lucillekuster.bsky.social · 20/11/2024
Hello small AuNPs 👀🧪 #chemsky #aunps #chemistry
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Reposted by Lucille Kuster
Dr. Marissa Civic @stemfactually.com · 16/11/2024
The ability to say "I don't know" is a strength, not a weakness. I would rather hear that during a research presentation than a long-winded non-answer or incorrect information. 🧪 👩‍🔬🥽 #education #stem #ITeachChem #chatchemistry #research #biosky #chemsky #physics
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Reposted by Lucille Kuster
Debbie Gale Mitchell @heydebigale.bsky.social · 18/11/2024
Being silly on the ⏰ app this morning #chemsky
A photo of a white woman wearing safety glasses in front of a vacuum line. 

The text says: when a man tells me he’s a chemist and I reply, “Wow you don’t look anything like a chemist!”Photo of a white woman with neon green hair dressed in a blazer and turtleneck.

The text says,

when a man tells me he is an assistant professor I reply “I think you mean, teaching assistant?”Photo of a white woman with teal and purple hair in front of an EPR spectrometer.

The text says :

When a man gives a research talk, I make it a point to walk up to him afterwards and say, “I’m pleasantly surprised by your expertise. You really know stuff!”
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Lucille Kuster @lucillekuster.bsky.social · 19/11/2024
It’s been a week since I officially became a PhD candidate! 🎉 The predoctoral exam was the most intense oral exam I’ve ever experienced—stressful enough to keep me from eating or sleeping properly for days... What will my thesis defense be like? 😬
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Lucille Kuster @lucillekuster.bsky.social · 18/11/2024
It’s time for vegan cinnamon rolls 😋 #ChemistsWhoCook
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