🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

"I'm actually not super interested in having a whole lot of money," says Ozempic researcher Lotte Knudsen. "It doesn't look like it's making people happy, right?... I like to pay my taxes." cbsn.ws/4edeSUS

Exploring Different Search Approaches to Discover Donor Molecules for Organic Solar Cells arxiv.org/abs/2411.01900 #compchem

Introducing SpaceGA: A Search Tool to Accelerate Large Virtual Screenings of Combinatorial Libraries pubs.acs.org/doi/10.1021/ac… #compchem

Finally, a community-wide paper JCIM & JCTC Journals led by Matthieu Schapira describing results of CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein! #compchem #drugdiscovery pubs.acs.org/doi/10.1021/ac… Here we report the results of the inaugural

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! jobs.ethz.ch/job/view/JOPG_…

New preprint from my group: Predicting C-H activation through hydride affinity and homolytic bond dissociation energies doi.org/10.26434/chemr… #compchem

Charting the chemical space of modular heterocyclic nucleophiles for CO₂ capture doi.org/10.26434/chemr… #compchem

#ICIQJobs Prof. Carles Bo is hiring a Project Manager for the ioChem-BD OSCARS project! 🔹 PhD in #compchem 🔹 Strong Python skills 🔹 Experience with data science Apply here🔗careers.iciq.org/jobs/5177781-p… Centres CERCA BIST-Barcelona Institute of Science and Technology SOMM alliance

Enabling Automation of de Novo Catalyst Design: An Experimentally Validated, Multifactor Design Metric for Olefin Metathesis bsky.app/profile/janhje…

Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods bsky.app/profile/janhje…

ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design #compchem shorturl.at/v4QM1

A simple similarity metric for comparing synthetic routes shorturl.at/xByBZ #compchem

📢Save the date📢: Sonia Coriani and I are excited to announce next summer’s Current Trends in Electronic-Structure Theory (CTEST-2025), a WATOC2025 satellite meeting taking place from 18-20 June 2025 at the Carlsberg Academy in Copenhagen, Denmark. [1/3] ctest2025.com

Metallicious: Automated Force-Field Parameterization of Covalently Bound Metals for Supramolecular Structures bsky.app/profile/janhje… #compchem

This is a brief reminder to follow me and the rest of science twitter to bluer skies elsewhere... 🦋

This New Energy Storage Idea Makes A Lot Of Sense youtu.be/x01Rfj12Xi0?si…

We also have a second competition funded PhD Position available! This project focuses on the exploration of novel ligand and metal chemistry for the preparation of modular compound libraries. These will then be evaluated as potential antimicrobials. tinyurl.com/Metalloantibio…

Twitter and responsible social media youtu.be/y8zfgIgZ4c0?si…

Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated! jobs.ethz.ch/job/view/JOPG_…

New preprint: SMILES All Around: Structure to SMILES conversion for Transition Metal Complexes doi.org/10.26434/chemr… #compchem with Maria Harris Rasmussen Magnus Strandgaard Julius Seumer Laura Hemmingsen Angelo Frei, PhD David Balcells