Congratulations to Flaviano who passed his viva last Friday! Here his is receiving his traditional (Italian themed) PhD hat! He will bring the post-lunch games tradition to his post-doc at EPFL!
28.05.2025 13:14 β π 0 π 0 π¬ 0 π 0
Flaviano's latest paper is now out tinyurl.com/ms6eyy98 - a rigorous and efficient approach for estimating the sublimation enthalpy of molecular crystals at finite thermodynamic conditions, including nuclear quantum effects via data-efficient fine-tuned machine learning interatomic potentials. π»βοΈ
28.05.2025 13:09 β π 2 π 0 π¬ 0 π 0
group photo
group curling on ice
forest with snow
Some group members had a great time last week in the beautiful surrounds of Ringberg castle, meeting collaborators from Paris and Mainz and catching up on the latest exciting results from the nAqua project! We also got to try out the fun sport of Bavarian curling and sample tasty local cuisine!
19.01.2025 18:27 β π 1 π 0 π¬ 0 π 0
Congratulations to @benshi.bsky.social on his successful PhD viva last Monday! ππ We are glad he convinced his examiners his work was not a s(kz)cam! Here is Ben with his customary PhD hat made by the group. We wish him the best of luck at his new job at @flatironinstitute.org in New York π½
20.12.2024 11:13 β π 6 π 1 π¬ 0 π 1
Computational Organic Chemist
@University of Manchester #CompChem π» βοΈ #Catalysis
πͺπΈ β π¬π§ | Mum of 3 boys π€©
Cyclist π΄ββοΈ | Yogi π§ββοΈ | Amateur cook
Rock music fan πΈ
π https://trujilloresearchgroup.com/
Professor of Theoretical Chemistry @sorbonne-universite.fr & Head @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social| FRSC (My Views) #compchem #HPC #quantumcomputing #machinelearning |
https://piquemalresearch.com | https://tinker-hp.org
Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
Computational Chemist. π¦π Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. π³οΈβπ she/they (sie).
@JaGeo on github
Theoretische Physik & Schalke
Theoretical and Computational Chemistry, Professor @FU_Berlin
Computational chemistry professor at @unistuttgart.bsky.social simulating reaction mechanisms, atom tunneling, astrochemistry, MachineLearning.
https://www.uni-stuttgart.de/theochem/kaestner
Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
We are the Cox Research Group! We are a computational and theoretical chemistry group in the Department of Chemistry, Durham University. See more at https://coxgroup.github.io/
PhD student @Cambridge_Uni β’ ML on Graphs for Molecules & Materials β’ ML force fields and atomic simulations
Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are my own π³π±πͺπΊπ¬π§
Applying machine learning to challenges in materials science.
Senior Researcher at Microsoft research AI for Science.
Views are my own
RS at at GDM, Science Team. Prev: Google Brain
source: https://arxiv.org/rss/stat.ML
maintainer: @tmaehara.bsky.social
PhD candidate @ Cambridge Engineering | Founding engineer @ Angstrom AI | ML & molecular simulation
Advancing scientific research through computational methods and software tools. Centers: #FlatironCCA, #FlatironCCB, #FlatironCCM, #FlatironCCN and #FlatironCCQ
Virtual Chemist; LiΓΊdramΓ‘n; Personal Opinions; He/Him
Physicist, professor @univie.ac.at, director of @esivienna.bsky.social, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. πͺπΊ
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi