Structure Search Graz

Research Group @ TU Graz | Organic/Inorganic Interfaces | Electronic Structure and Structure Search | DFT and Machine Learning

[Structure Search Graz @OTH_Group]

Does incommensurability mean superlubricity? Using machine learning we simulated friction in organic/inorganic interfaces at a previously unseen scale. This reveals structural effects like static distortion waves which significantly impact lubricity. https://t.co/QsuhqZnyHg

[Structure Search Graz @OTH_Group]

Our recent work on polymorphism mediated by electric fields published in #NanoscaleAdvances was selected for this year's popular advances collection! Read the article and see the full collection at https://t.co/8QFlzzYzwK. @nanoscale_rsc

[Structure Search Graz @OTH_Group]

Pushing (phase) boundaries in #nanotech: our latest paper in #NanoscaleAdvances shows how tweaking pressure, temp, and electric fields can manipulate organic/inorganic interfaces! @nanoscale_rsc https://t.co/Bx9I5E1Uzg

[Structure Search Graz @OTH_Group]

Want to know how to switch an organic/inorganic interface? Our recent paper in RSC Nanoscale has the answer: https://t.co/lBcKEmb8qJ

[Structure Search Graz @OTH_Group]

Substrates can have a strong influence on the structure of thin films. Find out more in our new paper: https://t.co/MaTHNR2tWU

[Structure Search Graz @OTH_Group]

Can you imagine how TCNE moves on Cu(111)? We were honored to feature our work on the front cover of the actual issue of #ACSPhysicalChemistryAu: https://t.co/YpiUY83HAS

[Structure Search Graz @OTH_Group]

Predicting the interface dipole from properties of adsorbate/substrate is hard. Is machine learning the answer? Find out in our new paper: https://t.co/yvkDcMBE7H

[Structure Search Graz @OTH_Group]

We just published a paper investigating how the polymorphism of organic/inorganic interfaces influences the work function change. Check it out at: https://t.co/5zePhfjMhC

[Structure Search Graz @OTH_Group]

Want to know how to stabilize a kinetically trapped phase? Then check out our paper about phase transitions for TCNE on copper published in ACS Physical Chemistry Au (https://t.co/rOYZ78f1DN)

[Structure Search Graz @OTH_Group]

Get informed about the current and future capabilities of our SAMPLE approach through our poster presented at the DPG Spring meeting 2021 #dpg2021 #surfacescience2021

[Structure Search Graz @OTH_Group]

Check out our new publication in @acsnano that shows how we model molecular monolayers and extract physical insight from Bayesian learning.
https://t.co/6mO8c3SU7I
Great collaboration with the surface science group @ FSU Jena

[Structure Search Graz @OTH_Group]

We're very happy to announce our recent review with best practices on how to calculate inorganic-organic interfaces: https://t.co/mHmlqB8xYx. Great collaboration with @reinimau and @EgbertZojer!

[Structure Search Graz @OTH_Group]

We are very proud to present our new study in which we use SAMPLE and BOSS to refute previous theories of long-range charge transfer to molecules not in direct contact with the surface. https://t.co/lvWDwh52hL

[Structure Search Graz @OTH_Group]

We finally published a comprehensive explanation about SAMPLE: https://t.co/AKvWVm5nD0 SAMPLE facilitates surface structure search for commensurate organic monolayers on inorganic substrates, by using coarse-grained modeling and Bayesian linear regression.