The second part of our bis-pyridine story is out. Do DFT-D3/D4 perform well enough on 21-22 heavy-atom (C,N) cations in solution? Check it out! https://t.co/U40RKs8sLm
Excited to share our @J_A_C_S paper on probing London dispersion in the gas phase and exploring some computational methods for modeling steric interactions! Check it out: https://t.co/wvl4cOWXLi
In the meantime, we published an application of an attenuator for cw-QC lasers, solving unequal power distribution and making cw-QCL + attenuator combo a promising tool to help establish or advance laser-based research https://t.co/wSIfZwjOw3
Not everything worked as expected in 2024, but for the better! I am optimistic that 2025 will be a great year 🚀💪Wishing all of you a productive and rewarding year ahead—stay tuned for updates!
Our group is recruiting a PhD student for a project on combining traditional expert features with deep learning for reaction prediction. Reposts and spreading the word to interested people in your network appreciated!
https://t.co/9p3x8dRgGY
Wrapping up an incredible journey! Today, the Zurich cohort of the Swiss Chemical Society’s mentoring program gathered for a scenic cruise around Lake Zurich to mark the closing of our fruitful months together. Cheers to all our participants for making this journey so memorable!
Our group is recruiting a PhD student for a project on computer-aided catalyst design. Reposts and spreading the word to interested people in your network appreciated!
It would be of great interest to compare the results of conformational space generation by different software with ones obtained via MD simulations for peptide-based catalyst.
https://t.co/ck8gMryY2n
Delighted to present my poster about 'Exploring the conformational space within phase transfer catalysts: computational methods benchmarking' for the 3rd European Symposium on Chemical Bonding
@CBOND2022online #CBOND2022poster#compchem#catalysis
I really appreciate getting the Chemistry Travel Award 2022 from @SCNATChemistry and @SwissChemistry! Looking forward to visiting @molspect! Congratulations to other winners as well🥳
2/2 What a day! Another amazing story is published! Please see
Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study https://t.co/Xw0F5Wa43c
1/2 Do you think a weakly bound tag is more innocent and to perturb spectra less? Please check out:
Perturbation of pyridinium CIVP spectra by N2 and H2 tags: an experimental and BOMD study https://t.co/9D8zlkXbhN
Finally, I have done with the submission of the virtual poster for the SCS Fall Meeting 2020. It is hard to compress a project to a three-minute video-presentation. That's why it took me almost two days. For those who participate - please, check it out!
I am honored to receive "2020 Chemistry Travel Award". Thank you @scnatch and @swisschemistry for choosing my work, your support, and a great opportunity to travel and to share results.