CompSurfChem@Warwick (@compsurfchem) 's Twitter Profile
CompSurfChem@Warwick

@compsurfchem

computational surface science research group; dynamics at surfaces, photoelectrocatalysis, machine learning, PI: @reinimau; account run by team, @warwickchem

ID: 1464985040388042760

linkhttp://www.warwick.ac.uk/maurergroup calendar_today28-11-2021 15:53:47

137 Tweet

747 Followers

533 Following

The Journal of Chemical Physics (@jchemphys) 's Twitter Profile Photo

Latest JCP cover article reports a new implementation of an approach for understanding complex electronic effects at surfaces, by @ScottHabershon Reinhard Maurer & team Warwick Chemistry University of Warwick Read here: aippub.org/40NLi2H

Latest JCP cover article reports a new implementation of an approach for understanding complex electronic effects at surfaces, by @ScottHabershon <a href="/reinimau/">Reinhard Maurer</a> &amp; team <a href="/warwickchem/">Warwick Chemistry</a> <a href="/warwickuni/">University of Warwick</a>
Read here: aippub.org/40NLi2H
Shay Chaudhuri (@cshy97) 's Twitter Profile Photo

Say hello to my #RSCMat/#RSCCat #RSCPoster! Here, we use ChemShell to study the stability of single gold atoms on defective and doped diamond surfaces 💎 Many thanks to @a_logsdail and my supervisor Reinhard Maurer for all their support, and feel free to comment/dm any questions!

Say hello to my #RSCMat/#RSCCat #RSCPoster! Here, we use <a href="/chemshproject/">ChemShell</a> to study the stability of single gold atoms on defective and doped diamond surfaces 💎
Many thanks to @a_logsdail and my supervisor <a href="/reinimau/">Reinhard Maurer</a> for all their support, and feel free to comment/dm any questions!
Royal Society of Chemistry (@roysocchem) 's Twitter Profile Photo

Are you up to date with the latest #physicalchemistry? Registration for the Faraday joint interest group conference closes 13 March – make sure to book your place at this unmissable event. Join us for an exciting programme that spans the entire field: rsc.li/FJIG2023

Are you up to date with the latest #physicalchemistry? Registration for the Faraday joint interest group conference closes 13 March – make sure to book your place at this unmissable event.

Join us for an exciting programme that spans the entire field: rsc.li/FJIG2023
The Journal of Physical Chemistry (@jphyschem) 's Twitter Profile Photo

.Reinhard Maurer and team computationally study how the strength of chemical interaction at a molecule/metal interface affects XPS and XAS signatures. The findings can guide interpretation of spectra. CompSurfChem@Warwick UK Research and Innovation go.acs.org/44z

Shay Chaudhuri (@cshy97) 's Twitter Profile Photo

VIVA DONE! ✅ Dr. Chaudhuri incoming (after minor corrections)! Very grateful to my examiners Livia Bartok-Partay and Alberto Roldan, the Diamond Science for keeping me fed, all the previous and current CompSurfChem@Warwick members, and ofc my supervisor Reinhard Maurer! Time to start celebrating! 🥂🍻

VIVA DONE! ✅ 
Dr. Chaudhuri incoming (after minor corrections)! Very grateful to my examiners <a href="/lbpartay/">Livia Bartok-Partay</a> and <a href="/AlbertoRoldan11/">Alberto Roldan</a>, the <a href="/DiamondCDT/">Diamond Science</a> for keeping me fed, all the previous and current <a href="/compsurfchem/">CompSurfChem@Warwick</a> members, and ofc my supervisor <a href="/reinimau/">Reinhard Maurer</a>! Time to start celebrating! 🥂🍻
The Journal of Physical Chemistry (@jphyschem) 's Twitter Profile Photo

.@costantinigroup, CompSurfChem@Warwick and Phil Woodruff with Diamond Light Source I09 support quantitatively measure and predict the structure and properties of two-dimensional alkali-molecule networks which sensitively depend on the coadsorption ratio go.acs.org/4d7

Julia Westermayr (@jwestermayr) 's Twitter Profile Photo

Great talk by Wojciech Stark from CompSurfChem@Warwick Reinhard Maurer at the #DPG spring meeting on (equivariant) neural networks, EANN, and ACE for reactive surface dynamics at metal surfaces. Happy to see my former colleague from Warwick Chemistry doing so well! #compchem #SKM23

Great talk by <a href="/wgstark/">Wojciech Stark</a> from <a href="/compsurfchem/">CompSurfChem@Warwick</a> <a href="/reinimau/">Reinhard Maurer</a> at the #DPG spring meeting on (equivariant) neural networks, EANN, and ACE for reactive surface dynamics at metal surfaces. Happy to see my former colleague from <a href="/warwickchem/">Warwick Chemistry</a> doing so well! #compchem #SKM23
CompSurfChem@Warwick (@compsurfchem) 's Twitter Profile Photo

The M3S Conference (…emodellingmaterialssurfaces.github.io) is in full flow! Some pics from today’s hike around the Lake District ⛰️ feat. James Kermode’s and @a_logsdail’s group members

The M3S Conference (…emodellingmaterialssurfaces.github.io) is in full flow! Some pics from today’s hike around the Lake District ⛰️ feat. <a href="/jameskermode/">James Kermode</a>’s and @a_logsdail’s group members
James Kermode (@jameskermode) 's Twitter Profile Photo

M3S group photo! Thanks to the team of organisers, to our invited speakers @micaelamatta, lucas foppa and Cas van der Oord for their great engagement all week plus everyone from CompSurfChem@Warwick, @a_logsdail’s group and my group for fantastic talks and discussion

M3S group photo! Thanks to the team of organisers, to our invited speakers @micaelamatta, <a href="/foppa_lucas/">lucas foppa</a>  and Cas van der Oord for their great engagement all week  plus everyone from <a href="/compsurfchem/">CompSurfChem@Warwick</a>, @a_logsdail’s group and my group for fantastic talks and discussion
Shay Chaudhuri (@cshy97) 's Twitter Profile Photo

Very proud and happy to see my second first-author paper published in The Journal of Physical Chemistry C! Many thanks to my co-authors @a_logsdail and supervisor Reinhard Maurer, as well as all the CompSurfChem@Warwick members and the ChemShell team for their support! pubs.acs.org/doi/10.1021/ac…

CompSurfChem@Warwick (@compsurfchem) 's Twitter Profile Photo

3-year PostDoc position available in the group Looking for candidates interested in any of the following: electronic structure theory for interfaces, nonadiabatic dynamics in materials, machine learning in chemistry/physics warwick-careers.tal.net/vx/lang-en-GB/…… deadline: 5.9. #compchem

The Journal of Chemical Physics (@jchemphys) 's Twitter Profile Photo

A highly efficient implementation of the independent electron surface is applied to study nonadiabatic effects in thermal desorption and surface scattering at metal surfaces. Reinhard Maurer CompSurfChem@Warwick aippub.org/43TCN6M

Trends in Chemistry (@trendschemistry) 's Twitter Profile Photo

To round off, an #OpenAccess Forum article from Nils Hertl and Reinhard Maurer Reinhard Maurer CompSurfChem@Warwick on understanding the interactions and energy transfer during hydrogen atom collisions on surfaces. #compchem #hydrogen Read it here: cell.com/trends/chemist…

Wojciech Stark (@wgstark) 's Twitter Profile Photo

Finally published (The Journal of Physical Chemistry C)!🚨💫 Are RMSE/MAE metrics enough to assess the performance of ML interatomic potentials? We present adaptively trained MLIPs with a direct assessment of performance through dynamical observables including full UQ. pubs.acs.org/doi/10.1021/ac… 🧵[1/6]