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Not for publication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