STSM – Short Term Scientific Missions
8th Call for STSM (Short Term Scientific Missions)
For missions occurring between November 1st 2023 and April 1st 2024
STSM Grantees Grant Period 1 (2020)
Francesca Fasulo
University of Naples
Federico II Polytechnic and Basic Sciences School
Italy
francesca.fasulo@unina.it
Host
Not for publication
Topic
H2O adsorption/desorption on stoichiometric and defective TiO2 surfaces: from one to more H2O layer
STSM Grantees Grant Period 2 (2021)
Jon Eunan Quinlivan Domínguez
Universitat de Barcelona
Spain
jon.quinlivan@ub.edu
Host
Dr. Johannes Margraf
Fritz-Haber-Institut Max-Planck-Gesellschaft, Berlin
Current affiliation : University of Bayreuth
johannes.margraf@uni-bayreuth.de
Topic
Training in the development of atomistic Machine-learning potentials
Dr. Veerpandian Ponnuchamy
InnoRenew CoE , Izola
Slovenia
v.ponnuchamy@tue.nl
Host
Dr. Silvia Nedea
Current affiliation : Eindhoven University of Technology, THE Netherands
Netherlands
s.v.nedea@tue.nl
Topic
Biomass reforming into hydrogen production with ZrO2 using ReaxFF
Prof Nicolae Goga
Politehnica Bucharest
Romania
n.goga@rug.nl
Host
Dr. Silvia Nedea
Technical University of Eindhoven, the Netherlands,
Netherlands
s.v.nedea@tue.nl
Topic
Molecular Dynamics STM
Sean Dvir
Technion-Israel Institute of Technology, Haifa
Israel
sean.dvir@campus.technion.ac.il
Host
Prof. Florian Libisch
TU Wien
Austria
fortran.flo@gmail.com
Topic
Learn and implement a Krylov-based scheme for charge transport across catalyst materials
Dr. Veera Krasnenko
Institute of Physics, Tartu
Estonia
Veera.Krasnenko@ut.ee
Host
Prof. Eugene Kotomin
Institute of Solid State Physics, University of Latvia
Latvia
e.kotomin@fkf.mpg.de
Topic
Water splitting on multi-facet STO nanostructure: calculation of Raman spectrum
Flavio Siro Brigiano
VUB (Vrije Universiteit Brussel)
(Current affiliation : Laboratoire de Chimie Théorique, Sorbonne Université, Paris, France)
Belgium
flavio.siro_brigiano@sorbonne-universite.fr
Host
Prof. Frances Illas Riera
Institute of Theoretical and Computational Chemistry at the Universitat de Barcelona (IQTCUB)
Spain
francesc.illas@ub.edu
Topic
XPS on water splitting
Dr. Silvia Nedea
Technische Universiteit Eindhoven
Netherlands
s.v.nedea@tue.nl
Host
Prof. Nicolae Goga
Politehnica Bucharest
Romania
n.goga@rug.nl
Topic
Machine learning methods for heat and flow properties: hydrogen-surface interactions
STSM Grantees Grant Period 3 (2022)
Eitan Yohanan
Technion-Israel Institute of Technology, Haifa
Israel
eitan.yohanan@bruker.com
Host
Dr. Jose Gomes
University of Aveiro, PT
Portugal
jrgomes@ua.pt
Topic
The effect of interlayer stacking arrangements in NiOOH nano particles on Water oxidation catalysis
Prof Nicolae Goga
Politehnica Bucharest
Romania
n.goga@rug.nl
Host
Dr. Silvia Nedea
Technical University of Eindhoven, the Netherlands,
Netherlands
s.v.nedea@tue.nl
Topic
Multiscaling modeling for water spliting
Dr. Silvia Nedea
Technical University of Eindhoven
Netherlands
s.v.nedea@tue.nl
Host
Prof. Nicolae Goga
Politehnica Bucharest
Romania
n.goga@rug.nl
Topic
AI Models for H2 interactions with a Ni surface
Anna Vidal López
University Autonomous of Barcelona
Spain
Anna.Vidal.Lopez@uab.cat
Host
Prof. Dr. Georg K. H. Madsen
Vienna University of Technology
Austria
georg.madsen@tuwien.ac.at
Topic
GPAW Code Training to Model Heterogeneous CatalystsTechnical University of Eindhoven
Estefanía Díaz López
Universitat Autònoma de Barcelona
Spain
estefania.diaz@uab.cat
Host
Prof. Dr. Georg K. H. Madsen
Vienna University of Technology, Austria
Austria
georg.madsen@tuwien.ac.at
Topic
Development of ML potentials applied to energy-relevant heterogeneous catalysts
Francesca Fasulo
University of Naples, Federico II Polytechnic and Basic Sciences School
Italy
francesca.fasulo@unina.it
Host
Prof. Laura Gagliardi
University of Chicago, US
USA
lgagliardi@uchicago.edu
Topic
Disentanglement of oxygen evolution pathways at IrO2 interface by DFT- embedding methods
STSM Grantees Grant Period 4 (2023)
Misha Aghamalyan
Yerevan State University (Yerevan, Armenia)
Armenia
misha.aghamalyan@ysu.am
Host
Dr. Assa Sasikala Devi
University of Oulu
Finland
Assa.SasikalaDevi@oulu.fi
Topic
Hydrogen Evolution Reaction Catalyst Design through Computational Material Discovery
Andrés Felipe Usuga
University Autonomous of Barcelona
Spain
andresfelipe.usuga@uab.cat
Host
Dr. Johannes Margraf
Fritz-Haber-Institut Max-Planck-Gesellschaft, Berlin
Current affiliation : University of Bayreuth
Germany
johannes.margraf@uni-bayreuth.de
Topic
Machine-Learning Driven Global Optimization of Intermediates in the CO2 Hydrogenation to Ethanol
Miquel Alles Coll
Universitat de Barcelona
Spain
miquelalles8@gmail.com
Host
Dr. Michael Nolan
Tyndall National Institute at University College Cork
Ireland
michael.nolan@tyndall.ie
Topic
Investigation of the water splitting reaction on ZnO surfaces in the excited states
Said Hamad Gomez
Universidad Pablo de Olavide de Sevilla
Spain
said@upo.es
Host
Dr. Ricardo Grau-Crespo
University of Reading
GB
r.grau-crespo@reading.ac.uk
Topic
Fine-tuning water-splitting photocatalysts based on zeolitic imidazolate frameworks via metal mixing
Charlotte Hall
University of Reading
UK
charlotte.hall@pgr.reading.ac.uk
Host
Not for publication
Topic
Computational and experimental study of spinel oxide photocatalysts for water splitting
Neeraj Mishra
Ben-Gurion University of the Negev,Beersheva
Israel
neeraj@post.bgu.ac.il
Host
Prof. Debesh R. Roy
Sardar Vallabhbhai National Institute of Technology, Surat-395007, Gujarat
India
drr@phy.svnit.ac.in
Topic
Investigation of energy harvesting properties in cubic tin monochalcogenides: Thermoelectric and optical properties
Lakhanlal Lakhanlal
Technion-Israel Institute of Technology, Haifa
Israel
lakhanlall@campus.technion.ac.il
Host
Not for publication
Topic
Iron-based Metal Organic Framework for Nitrogen Reduction and water splitiing
Sergejs Piskunovs
Institute of Solid State Physics of University of Latvia
Latvia
piskunov@lu.lv
Host
Prof. Dr. Wei Cao
University of Oulu
Finland
Wei.Cao@oulu.fi
Topic
Computer modelling and experimental crosscheck of transition metal doped Co(OH)2 composite for water splitting applications
Márton Szendrő
Institute of Technical Physics and Materials Science, Budapest
Hungary
szendro.marton@ek-cer.hu
Host
Prof. Florian Libisch
Vienna University of Technology (TU Wien)
Austria
fortran.flo@gmail.com
Topic
Investigation of large-wavelength moiré-heterostructures by tight-binding methods
Veton Haziri
University for Business and Technology – UBT, Prishtine
Kosovo
veton.haziri@ubt-uni.net
Host
Prof. Klemen Bohinc
University of Ljubljana
Slovania
klemen.bohinc@zf.uni-lj.si
Topic
The impact of water splitting on hematite charge properties
Jourdain de Thieulloy Laure
DTU ENERGY (Kgs. Lyngby)
Denmark
lajour@dtu.dk
Host
Prof. Leticia González
University of Vienna – Institute of Theoretical Chemistry
Austria
leticia.gonzalez@univie.ac.at
Topic
Nonadiabatic dynamics simulations for the investigation of efficient water splitting reaction
Dr. Giovanni Talarico
Università degli Studi di Napoli Federico II (Naples, Italy)
Italy
talarico@unina.it
Host
Prof. Luigi Cavallo
King Abdullah University of Science and Technology
Saudi Arabia
luigi.cavallo@kaust.edu.sa
Topic
Computational descriptors for water splitting reactions
STSM Grantees Grant Period 5 (2024)
Giovanni Talarico
Università degli Studi di Napoli Federico II (Naples, Italy)
Host
Prof. Luigi Cavallo
King Abdullah University of Science and Technology
Saudi Arabia
luigi.cavallo@kaust.edu.sa
Topic
Enlarging the database of computational descriptors for water splitting reactions
Bartłomiej Szyja
Wrocław University of Science and Technology
Poland
Host
Dr. José R. B. Gomes
University of Aveiro
Portugal
jrgomes@ua.pt
Topic
Mechanism of water splitting on MXene surfaces
Ling Meng (Ms)
University of Barcelona-Faculty of Chemistry
Spain
Host
Prof. Dr. Kai S. Exner
University of Duisburg-Essen
Germany
kai.exner@uni-due.de
Topic
Exploring the Mechanism of Nitrogen-Carbon-Based Single-Atom Catalysts in Water Splitting Reaction and the Influence of Geometr
Ricardo Grau-Crespo
University of Reading
GB
Host
Said Hamad Gomez
Universidad Pablo de Olavide de Sevilla
Spain
said@upo.es
Topic
Water-splitting photocatalysts based on heterometallic zeolitic imidazolate frameworks: data analysis and article writing
Labanya Bhattacharya
University of Reading
Technion – Israel Institute of Technology (Haifa, Israel)
labanyab@campus.technion.ac.il
Host
Prof. Michele Pavone
UNIVERSITY OF NAPLES FEDERICO II
Italy
michele.pavone@unina.it
Topic
Atomistic prediction of charge transfer kinetic parameters at perovskite/inorganic charge transport layer interfaces for solar cell and water splitting applications