@AhlquistGroup

Computational chemistry. Catalysis. Small molecule activation.

Joined November 2016
  • Tweets311
  • Following388
  • Followers473
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Check out our just accepted paper in @J_A_C_S #wateroxidation #artificialphotosynthesis @Shaoqi_Zhan @NordCO2
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Come by our stand at Watoc2025 and try VeloxChem live!
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Out now in @Chem_CP Our study on the photocatalytic product-selective reduction of CO2, CO, and carbonates using Sm-catalyst. We thank our amazing collaborators @AhlquistGroup & Anders Thapper. We also thank anonymous reviewers for their valuable inputs. cell.com/chem/fulltext/S2451…

Photocatalytic product-selective reduction of CO2, CO, and carbonates

A possible strategy to decrease the amount of emitted CO2 is to capture and convert it to value-added chemicals, e.g., carbon monoxide, formic acid, methanol, and methane. A homogeneous samarium-ba...

cell.com
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Mårten Ahlquist retweeted
Ben A. Johnson@3BenAJohnson20 Aug 2024
Learning electrochemistry doesn’t have to be tough. That’s why I created the YouTube channel Echem ∀ (∀ = ‘for all’). Stay tuned for animations, demos, and explainers—all centered around #Electrochemistry for all! youtu.be/Wn9GmRtg09Y?si=2NWn…
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Mårten Ahlquist retweeted
Ken Lo@bhkenlo19 Aug 2024
Intermolecular O–O Bond Formation between High-Valent Ru–oxo Species | Inorganic Chemistry pubs.acs.org/doi/10.1021/acs… Sun and co-workers @InorgChem #ruthenium #oxo #OObondformation #water #oxidation #WNA #I2M #catalysis
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Mårten Ahlquist retweeted
ACS Catalysis@ACSCatalysis31 Jul 2024
Coordination-Adaptive Molecular Platform for Catalytic Water Oxidation A review by Licheng Sun et al @KTHuniversity @Westlake_Uni 🔓 Open access #ACSEditorsChoice in Artificial Photosynthesis 👉 go.acs.org/ak8
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We offer a PhD position to work on catalysis for sustainable organic synthesis. Come and join our group! su.varbi.com/en/what:job/job… Apply here before 12.Aug.2024

PhD student in Catalysis for Sustainable Organic Synthesis

The Department of Organic Chemistry has an extensive research program, covering many areas of experimental and theoretical chemistry. Method development involving catalysis, sustainable chemistry, org

su.varbi.com
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Join us at the @VisualiseringC for a workshop titled "Computation and Visualization of Large Molecular Systems" on May 27 and 28, 2024. With tutorials from @bradyajohnston, @VIAMD_ and @VeloxChem. Registration: forms.gle/KEg4TCWBQavXt6FWA #compchem

Computation and Visualization of Large Molecular systems

Event Timing: 27-28 of May 2024 Event Address: Visualiseringscenter C, Kungsgatan 54, 602 33 Norrköping, Sweden Contact: Mathieu Linares - [email protected] We welcome you to the workshop titled...

docs.google.com
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We're looking for a PhD student to continue the group's work on charge transport and catalysis in #mofs Please apply under: jobb.uu.se/details/?position…
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🔥Don't miss HOT communication article from @AhlquistGroup and colleagues on the feasibility of O–O bond formation via radical coupling in a dinuclear iron water oxidation catalyst with high catalytic activity⬇ pubs.rsc.org/en/content/arti… 📍 @KTHuniversity

O–O bond formation via radical coupling in a dinuclear iron water oxidation catalyst with high...

The use of iron-based catalysts for the water oxidation reaction is highly attractive due to the high abundance of iron. While many molecular catalysts hav

pubs.rsc.org
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Our collaboration with Pher Andersson's is delivering its fruits. @AhlquistGroup chemistry-europe.onlinelibra… Stay in tune, for a second article will come out soon.

The Effect of Conformational Freedom vs Restriction on the Rate in Asymmetric Hydrogenation:...

It was found that the conformation of an unsaturated carbonyl is extremely important for the reactivity in iridium catalyzed hydrogenation. This reactivity difference is used for a novel type of...

chemistry-europe.onlinelibrary.wiley.com
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Mårten Ahlquist retweeted
VIAMD@VIAMD_5 Feb 2024
Want to learn more about VIAMD? Join us tomorrow at 15:00 at the @BioExcelCoE Webinar. Registration is still open: bit.ly/3H6Fclf. #compchem

Webinar: VIAMD: A Software for Visual Analysis of Molecular Dynamics (2024-02-06)

Visit the post for more.

bioexcel.eu
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Effect of Variable Amine Pendants in the Secondary Coordination Sphere of Manganese Bipyridine Complexes on the Electrochemical CO2 Reduction (M. S. G. Ahlquist, T. Skrydstrup, K. Daasbjerg and co-workers) @AhlquistGroup #OpenAccess onlinelibrary.wiley.com/doi/…

Effect of Variable Amine Pendants in the Secondary Coordination Sphere of Manganese Bipyridine...

The electrochemical performance of a manganese bipyridine complex bearing four tertiary amine groups in the secondary coordination sphere is thoroughly studied for CO2 reduction with the assistance...

chemistry-europe.onlinelibrary.wiley.com
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New @VIAMD_ video available on youtube: youtu.be/VhJyMkgYIkE about dynamic selection and counting. Teaser video below. VIAMD is available on github: github.com/scanberg/viamd/ and doi.org/10.1021/acs.jcim.3c0…. #compchem
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Hi #compchem people. We are looking for large and original MD trajectories to test the capacities of our software @VIAMD_ and its functionalities. Please contact me if you are willing to share them.
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New @VIAMD_ video available about Spatial Distribution Function: youtu.be/BDYQEnrhlBQ?si=KiYX… #compchem
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#compchem I started to make tutorial videos for @VIAMD_: The first one is available here youtu.be/7X4pMv1Hf-4?si=95e1… and is just a quick overview of the software. 🧵
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We are looking for a postdoctoral fellow that would like to join our group for the next two coming years! If you have a background on catalysis, homogeneous and/or heterogeneous, and have a strong interest in sustainability, apply here! su.se/department-of-organic-…
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Very happy to announce our software VIAMD for Visual Interactive Analysis of #moleculardynamics in @JCIM_JCTC. pubs.acs.org/doi/10.1021/acs… #compchem. VIAMD is available on @github github.com/scanberg/viamd
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#compchem. How to plot properties in the timeline and distribution window after evaluation in #VIAMD (github.com/scanberg/viamd/). Article available @JCIM_JCTC: pubs.acs.org/doi/10.1021/acs…
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Mårten Ahlquist retweeted
VilleKaila@TheKailaLab16 Oct 2023
We are searching for a highly motivated PhD student in Biophysics, with special interest in multiscale (QM/MM) simulations, membrane proteins, and/or bioenergetics to join our Lab. Please apply via (deadline Nov 3):su.se/english/about-the-univ…
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