Albert Bartok-Partay retweeted
Fully funded computational modelling focused PhD projects at the HetSys CDT in Warwick. See details below and check out our project with @apbartok to study the unique properties of potassium! warwick.ac.uk/fac/sci/hetsys… @HetSysCDT @WarwickCaTCh @uniofwarwick
We have more exciting fully funded PhD projects available for an October 2025 start. Take a look at bit.ly/3OA76tP and sign up for one of our project clinics to chat with us bit.ly/3C71yV2. Closing date 20 Jan @uniofwarwick @WarwickPostgrad
Albert Bartok-Partay retweeted
So excited, CMS is less than a month away!
Register for one of the few remaining spots: warwick.ac.uk/fac/sci/chemis…
@HetSysCDT @CCP5UK @ccpbiosim @softmatter @warwickchem #CCP9 @RSC_MolEng @RoySocChem
Registration deadline is approaching fast (27th August)!
Secure your spot at the Computational Molecular Science 2024 conference (University of Warwick, September 11-13).
Abstract submissions for poster presentations are still open.
More info at warwick.ac.uk/fac/sci/chemis…
Albert Bartok-Partay retweeted
Have you registered for CMS 2024? Check out the programme and join us in Warwick for the conference bringing together the UK computational chemistry community. Register:
warwick.ac.uk/fac/sci/chemis…
@warwickchem @WarwickCaTCh @CCP5UK @ccpbiosim #ccp9 @RSC_MolEng @softmatter
Albert Bartok-Partay retweeted
Registration is still open for the 7th Computational Molecular Science (CMS 2024) conference, covering quantum chemistry, machine learning, bio- and soft-matter simulations. We'll also host the RSC TC graduate student meeting. Join us in Warwick! warwick.ac.uk/fac/sci/chemis…
Albert Bartok-Partay retweeted
Don't forget to register for the Computational Molecular Science 2024 in Warwick. Abstract submission deadline for oral contributions is Friday 10th May!
warwick.ac.uk/fac/sci/chemis…
Albert Bartok-Partay retweeted
The second edition of the GAP Devs & Users meeting is happening on 12-15 September @uniofwarwick. This year also featuring ACE and MACE. Visit the website for more info, including registration instructions: gap-ml.org/du-meetings/du-me…. @apbartok @lbpartay @jameskermode
Albert Bartok-Partay retweeted
Great evening with double-group BBQ with @apbartok, having @lakshenoy, Omar, @frekkout90, Seb, Jeremy, Matt, Mariia, Patricia (@m_a_caro group), @ChuggyChungus, Ray (@robertowexler group), @GeorgeMarchant.
Albert Bartok-Partay retweeted
Warwick Engineering is expanding its research activity in materials science by recruiting an Assistant Professor (R&T). Details at jobs.ac.uk/job/CWW991/assist…. Applications welcome. Deadline: 12th March 2023.
Albert Bartok-Partay retweeted
Interested in doing a PhD at the interface of #compchem #ml catalysis/supramolecular chemistry? We have two interdisciplinary projects available for 2022 entry via the @OxICFM
Fully funded 4-year PhD projects at @OxfordChemistry within the @OxICFM centre for doctoral training are available. These include collaborations with @ChemLangton, @coopallographer and @williamsgroupox. Virtual open day 27th October. oxicfm.ox.ac.uk
Albert Bartok-Partay retweeted
Calling all young and early-career researchers: Interested in using machine learning potentials in your work? Want to learn about the field from fellow researchers who have been instrumental in developing this emerging field? Register now at mlip-workshop-2021.xyz
Albert Bartok-Partay retweeted
Would be very honored to have candidates from:
@lab_COSMO, @SossoGroup, @apbartok, @PavloDral, @icegroupcam, @ProfvLilienfeld, @GroupParrinello, @TheMSNEPGroup, @BonomiMax, @TcpUniLu
Albert Bartok-Partay retweeted
Don’t choose between caregiving and your chemistry research career. Join Dr Livia Bartók-Pártay for a Live Chat on the benefits of a Dorothy Hodgkin Fellowship. warwick.ac.uk/fac/sci/chemis…
Albert Bartok-Partay retweeted
This paper has taken a lot of time and effort, but it's finally on arXiv. Adding van der Waals corrections to GAP force fields. We can do TS as accurately as VASP, and the TS forces are actually *more accurate*. Thanks to Heikki and the other coauthors. arxiv.org/abs/2105.02525
Albert Bartok-Partay retweeted
There is a postdoc opening in our group at Aalto University, to work on using ML force fields and multiscale simulations to find electrocatalysts for the CO2 reduction reaction. Please RT. To apply follow this link: miguelcaro.org/wp/open-posit…
Albert Bartok-Partay retweeted
Who needs orbitals or data?
"Orbital-Free Density Functional Theory with Small Datasets and Deep Learning"
arxiv.org/abs/2104.05408
Albert Bartok-Partay retweeted
🚨Looking for a postdoc to join us at @warwickchem! 2-year method development position on nonadiabatic dynamics at metal surfaces. Photocatalysis, Plasmonics, hot electrons, and excited states - the whole shebang! Read on for more details. Please RT! #chemjobs #compchem
Albert Bartok-Partay retweeted
Looking for interested candidates for an Oct 2021 PhD opening on spectroscopy simulation in the context of single-atom catalysis/magnetism with a big method development/coding component.
Project is part of @HetSysCDT
#phdpositions #compchem #chemjobs #phdopportunity
We have a new PhD opening with October 2021 start date. The project will be on core-level spectroscopy simulation in the context of single-atom catalysis/magnetism with a big method development component. Partners include @DiamondLightSou& @AimsDuke RT please. Part of @HetSysCDT
Albert Bartok-Partay retweeted
There is an unexpected opening in our group at the postdoc level (we can also consider strong PhD students) to work on combining ML potentials and DFT to model metal-catalyzed CO2 reduction. Contact me if you're interested or know a suitable candidate. A proper job ad may follow.


















