Lucille Kuster
@lucillekuster.bsky.social
PhD candidate in Raman spectroscopy, computational chemistry & astrochemistry 🌌👩🏻💻🧪 || Montreal 🇨🇦 — Basel🇨🇭 || figure skater ⛸️ || she/her 🏳️🌈
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Lucille Kuster
@lucillekuster.bsky.social
· Nov 28
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
Reposted by Lucille Kuster
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
#ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky #NMR #EPR #Raman
May 14, 2025 at 9:56 AM
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
#ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky #NMR #EPR #Raman
Reposted by Lucille Kuster
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).
JWST reveals exoplanet composition with unprecedented clarity
Direct evidence of carbon enrichment in the planets around HR 8799 provides clues to their formation
www.chemistryworld.com
March 27, 2025 at 2:39 PM
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).
Reposted by Lucille Kuster
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/2025/03/theo... #astrobiology #astrochemistry #interstellar #astronomy
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
astrobiology.com
March 9, 2025 at 4:27 PM
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/2025/03/theo... #astrobiology #astrochemistry #interstellar #astronomy
Reposted by Lucille Kuster
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....
🔹 Multiple quantum chemistry interfaces
🔹 Diverse methods & couplings
🔹 Full periodic table support
🔹 Built on Newton-X infrastructure
#CompChemSky 🧪
doi.org/10.1021/acs....
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...
doi.org
March 5, 2025 at 7:33 AM
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....
🔹 Multiple quantum chemistry interfaces
🔹 Diverse methods & couplings
🔹 Full periodic table support
🔹 Built on Newton-X infrastructure
#CompChemSky 🧪
doi.org/10.1021/acs....
Reposted by Lucille Kuster
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.
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.
The ORCA team is looking for a postdoctoral fellow or Ph.D. student to work on XTB methodology jointly with the group of Prof. Stefan Grimme (University of Bonn).
March 2, 2025 at 8:00 AM
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.
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.
Reposted by Lucille Kuster
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/10.1002/anie...
Tutorial on GOAT: www.faccts.de/docs/orca/6....
#ORCAqc #ChemSky
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...
doi.org
February 19, 2025 at 9:24 AM
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/10.1002/anie...
Tutorial on GOAT: www.faccts.de/docs/orca/6....
#ORCAqc #ChemSky
Reposted by Lucille Kuster
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/8cot-rCAYqA
Fluorescence and Photochemistry Crash Course
YouTube video by Mathieu Frenette
youtu.be
February 7, 2025 at 3:46 AM
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/8cot-rCAYqA
Reposted by Lucille Kuster
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 😆
And here is the algorithm folding an Alanine10 for now as a teaser 😆
February 3, 2025 at 5:09 PM
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 😆
And here is the algorithm folding an Alanine10 for now as a teaser 😆
Ordinary Monday ⛸️❄️ #iceskating #montreal
February 4, 2025 at 5:11 AM
Ordinary Monday ⛸️❄️ #iceskating #montreal
Having fun as a TA in the undergrad lab!
Check out this sodium emission experiment with a pickle ⚡️
#chemistry #bluechem #uni #uqam
Check out this sodium emission experiment with a pickle ⚡️
#chemistry #bluechem #uni #uqam
January 28, 2025 at 6:12 PM
Having fun as a TA in the undergrad lab!
Check out this sodium emission experiment with a pickle ⚡️
#chemistry #bluechem #uni #uqam
Check out this sodium emission experiment with a pickle ⚡️
#chemistry #bluechem #uni #uqam
Reposted by Lucille Kuster
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
www.scihb.com
December 13, 2024 at 8:19 AM
JWST Reveals Actively Forming Early Galaxy, Lightweight as a Baby Milky Way
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
November 28, 2024 at 5:33 AM
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
Reposted by Lucille Kuster
WAKE UP BABE, A NEW JWST IMAGE OF THE SOMBRERO GALAXY DROPPED!!! 🌌
November 25, 2024 at 3:27 PM
WAKE UP BABE, A NEW JWST IMAGE OF THE SOMBRERO GALAXY DROPPED!!! 🌌
November 24, 2024 at 10:51 PM
Reposted by Lucille Kuster
«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
Danick Trottier, professeur titulaire de musicologie #UQAM
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...
www.lapresse.ca
November 23, 2024 at 2:30 PM
«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
Danick Trottier, professeur titulaire de musicologie #UQAM
Reposted by Lucille Kuster
🚨 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 🧪
#MachineLearning & TDDFT show how molecular reorganization dominates pyrene excimer fluorescence.
doi.org/10.1039/D4CP...
#CompChem #Photophysics 🧪
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...
doi.org
November 21, 2024 at 4:45 PM
🚨 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 🧪
#MachineLearning & TDDFT show how molecular reorganization dominates pyrene excimer fluorescence.
doi.org/10.1039/D4CP...
#CompChem #Photophysics 🧪
November 21, 2024 at 1:37 PM
November 20, 2024 at 10:09 PM
Reposted by Lucille Kuster
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
🧪 👩🔬🥽 #education #stem #ITeachChem #chatchemistry #research #biosky #chemsky #physics
November 16, 2024 at 3:52 PM
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
🧪 👩🔬🥽 #education #stem #ITeachChem #chatchemistry #research #biosky #chemsky #physics
Reposted by Lucille Kuster
November 18, 2024 at 5:58 PM
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? 😬
November 19, 2024 at 9:58 PM
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? 😬
It’s time for vegan cinnamon rolls 😋 #ChemistsWhoCook
November 18, 2024 at 10:35 PM
It’s time for vegan cinnamon rolls 😋 #ChemistsWhoCook