01.03.2023 
The article „Phonon-driven intra-exciton Rabi oscillations in CsPbBr₃ halide perovskites" is published in Nature Communications. Congratulations to Sufyan for his excellent work and thanks to all our collaborators.

17.02.2023 
Our article „Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs" has been accepted for publication in Inorganic Chemistry. Congratulations to Fabiana, Daniel, and Holger for this excellent work and thanks to our collaborators at Paul Schirrer Insititute and at the Federal Institute for Materials Research and Testing.

27.01.2023 
James Kennington defended today his Bachelor’s thesis on the electronic structure of SnBr₂. Congratulations, James!

16.01.2023 
Our article „Al coordination and Ga interstitial stability in a β-(Al_0.2Ga_0.8)2O₃ thin film" has been accepted for publication in ACS Applied Materials & Interfaces. Congratulations to Daniel for this excellent work and thanks to our collaborators at Penn State University and Ohio State University.

12.01.2023 
Fabiana Machado defended today her Bachelor’s thesis on metal-organic frameworks investigated by means of high-throughput first-principles methods. Congratulations, Fabiana!

15.12.2022 
Baljinder Singh defended today his Bachelor’s thesis on donor/acceptor bimolecular complexes. Congratulations, Baljinder!

09.12.2022 
Freerk Schütt and Joshua Edzards received the Best Poster Price at the conference „Future WiNS: New Energies for a Sustainable World” sponsodered by Wiley. Congratulations, Freerk and Josh, on your award!

30.11.2022 
Our review „Modeling the electronic structure of organic materials: A solid-state physicist's perspective" has been accepted for publication in J. Phys.: Materials as part of the Focus Issue „Advanced Characterization of Organic and Hybrid Materials”. Thanks to Michele, Jannis, Trung, and Ana for their valuable contributions.

30.11.2022 
Ariel Cabrera joins our group from the Yachay Tech University, Equador, for his Bachelor’s thesis. Welcome, Ariel!

15.11.2022 
Our paper „Stability and electronic properties of CsK₂Sb surface facets" has been accepted for publication in Phys. Rev. Materials. Congratulations to Richard and Holger for this great work!

07.11.2022 
Mustapha Driouech joins our group from his Master’s thesis. Welcome, Mustapha!

01.11.2022 
Dhruti Mavani joins our group as a student assistant. Welcome, Dhruti!

14.10.2022 
Cristina Rubio joins our group from the Yachay Tech University, Equador, for her Bachelor’s thesis. Welcome, Cristina!

01.09.2022 
Julia Santana Andreo joins our group as a pre-doctoral scientist hosted by the SFB 951 in Berlin. Welcome, Julia!

19.09.2022 
Our paper "Ab initio simulation of laser-induced electronic and vibrational coherence" has been accepted for publication in Phys. Rev B. Congratulations, Jannis and Matheus, for this great work!

06.09.2022 
Caterina presents an invited talk entitled „Laser-controlled charge transfer in a two-dimensional organic/inorganic interface” at the International Conference of Quantum, Nonlinear and Nanophotonics 2022 taking place in Jena (5.-9.9.2022). Thanks to the organizers for the invitation!

01.09.2022 
Julia Santana Andreo joins our group as a pre-doctoral scientist hosted by the SFB 951 in Berlin. Welcome, Julia!

30.08.2022 
Caterina presents an invited talk entitled „Ultrafast spectroscopy in hybrid interfaces from first principles” at the DoKDoK Conference 2022 organized by the doctoral students of the Abbe School of Photonics (Jena) in Arnstadt. Thanks to the organizers for the invitation!

16.06.2022 
Our paper "Donors, Acceptors, and a Bit of Aromatics: Electronic Interactions of Molecular Adsorbates on hBN and MoS₂ Monolayers" has been accepted for publication in PCCP. Congratulations, Juan Pablo, Ana and Jannis, for your great work and special thanks to Giacomo and Marcella from the University of Zurich for this nice collaboration!

15.06.2022 
Our paper "First-Principles Core Spectroscopy of LiCoO₂ and CoO₂" has been accepted for publication in J. Phys. Chem. C. Congratulations, Daniel!

13.06.2022 
Caterina and Fabiana participated this weekend in the WiNS School 2022 „Energy for (your) future”, a scientific event for organized by Caterina and two colleagues from the Humboldt-Universität zu Berlin. The school took place in Blossin, Brandenburg, and hosted about 30 female scientists of 14 different nationalities. 

07.06.2022 
Amrita Mitra from the Indian Institute of Science Education and Research (IISER), Bhopal, India joins our group for a virtual internship. Welcome, Amrita!

03.05.2022 
Mael Laupretrer from the University of Lyon joins our group for a summer internship. Welcome, Mael!

25.04.2022 
Baljinder Singh joins our group as Bachelor’s student. Welcome, Baljinder!

19.04.2022 
James Kennington joins our group as Bachelor’s student. Welcome, James!

04.04.2022 
Vidya Yadav joins our group as Bachelor’s student. Welcome, Vidya!

18.03.2022 
Dongho Nguimdo joins our group remotely as HPC Europa 3 fellow. Welcome, Dongho!

14.03.2022 
Our paper "Interfacial electric fields acting on molecules at solid interfaces" has been accepted for publication in J. Phys. Chem. C. Congratulations, Ana, for this great work and thanks to experimental collaborators at the Humboldt-Universität zu Berlin for this nice cooperation!

08.03.2022 
Our paper "Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction" has been accepted for publication by ACS Appl. Nano Materials. Congratulations, Matheus and Jannis, for this nice work!

11.02.2022 
Our paper "Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation" has been accepted for publication by J. Chem. Phys. Congratulations, Holger, for this great work!

08.02.2022 
Our paper "Molecular Charge Transfer Effects on Perylene Diimide Acceptor and Dinapthothienothiophene Donor Systems" has been accepted for publication by J. Phys. Chem. C. Congratulations, Ana, for this great work and thanks to our experimental collaborators at the University of Tübingen for this interesting project!

07.02.2022 
Caterina released an interview to the public Italian TV program "Presadiretta", which was aired on Feb. 7, 2022 and viewed by 1.145.000 spectators, share 4,93%. You can find the video on Youtube: www.youtube.com/watch?v=0h3jyN45Wu4&t=766s

10.01.2022 
Our paper "Understanding the evolution of the Raman spectra of molecularly p-doped poly(3-hexylthiophene-2,5-diyl): signatures of polarons and bipolarons" has been accepted for publication by Phys. Chem. Chem. Phys. Congratulations, Ana, for this great work and thanks to our experimental collaborators in this project!

14.12.2021 
We are happy to announce that the project "Enabling QUAntum Information by Scalability of Engineered quantum materials (EQUAISE)" has been recommended for funding by the European Union as part of QuantERA - ERA-NET cofund in quantum technologies. We are proud to be part of this project together! 

30.11.2021 
Our paper "Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules" has been accepted by Electronic Structure as part of the special issue "Emerging Leaders 2021".  Congratulations, Jannis, for your great work!

26.11.2021 
Our proposal "Fundamental characterization and photoemission properties of multi-alkali antimonides for ultra-bright electron sources (FunPhotoSource)" has been funded by the German Research Foundation (DFG) for three years. It will boost our research direction on photocathode materials and strengthen our collaboration with Sonal Mistry and team at Helmholtz Zentrum Berlin.

20.10.2021 
Our paper "Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and its Cation" has been accepted on The Journal of Physical Chemistry A.  Congratulations, Katherine & Jannis for your great work!

11.10.2021 
Our paper "Optimized synthesis of solution-processable crystalline poly(triazine imide) with minimized defects for OLED application" has been accepted on Angewandte Chemie. Congratulations to Michele for your work, and to Prof. M. Bojdys for this nice collaboration!

01.10.2021 
Our paper "Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling" has been accepted on The Journal of Physical Chemistry Letters.  Congratulations, Ana & Michele for your efforts, and Prof. G. Witte at the University of Marburg for this nice collaboration!

10.09.2021 
Our paper "First-principles analysis of the optical properties of lead halide perovskite solution precursors" has been accepted on PCCP. Congratulations, Gianni, Richard, and Ana for the great work! 

01.09.2021 
Our paper "Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals" has been accepted on The Journal of Physical Chemistry C.  Congratulations, Michele & Ana, for this beautiful piece of work!

24.08.2021 
Our paper "Formation of Near-IR Excitons in Low Dimensional CuSbS₂" has been accepted on The Journal of Physical Chemistry C.  

20.08.2021 
Our review paper "Ab initio quantum-mechanical predictions of semiconducting photocathode materials" has been accepted on Micromachines. Thanks to Holger for contributing to it!

16.08.2021 
Freerk Schütt joins our group as student assistant. Welcome, Freerk!

03.08.2021 
Our paper "Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory" has been accepted on Physica Status Solidi B. Congratulations to Richard, Alejandro, and Ana for this nice piece of work!

01.08.2021 
Joshua Edzards joins our group as student assistant. Welcome, Josh!

27.07.2021 
Our paper "Permanent Dipole Moments Enhance Electronic Coupling and Singlet Fission in Pentacene" has been accepted on The Journal of Physical Chemistry Letter. Congratulations to Ana and thanks to Katharina Broch @ Uni Tuebingen and Giulio Cerullo @ PoliMI for this nice collaboration!

13.07.2021 
Yichi Zhang joins our group as bachelor student. Welcome, Yichi!

01.07.2021 
M. Sufyan Razman joins our group as post-doctoral scientist. Welcome, Sufyan!

01.07.2021 
Fabiana Machado joins our group as Bachelor's student and student assistant. Welcome, Fabiana!

25.06.2021 
Our paper "Electronic structure and optical properties of Na₂KSb and NaK₂Sb from first-principles many-body theory" has been accepted on the Journal of Physics: Condensed Matter. Congratulations Ray and Holger!

14.06.2021 
Maleik Ross joins our group as Bachelor's student. Welcome, Maleik!

07.06.2021 
Mayhar Najimi our group as Bachelor's student. Welcome, Mayhar!

25.05.2021 
Khaled Mohamed joins our group as Bachelor's student. Welcome, Khaled!

24.05.2021 
Our paper "LayerPCM: An implicit scheme for dielectric screening from layered substrates" has been accepted on the Journal of Chemical Physics. Congratulations Jannis!

17.05.2021 
Ngoc Trung Nguyen joins our group as Bachelor's student and student assistant. Welcome, Trung!

19.04.2021 
Our paper "Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach" has been published on PCCP. Another nice work sponsored, among others, by HPC Europa 3.

12.04.2021 
Our paper "Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals" has been published on Electronic structure. Congratulations, Holger!

01.03.2021 
Dr. Hanen Hamdi joins our group as visiting post-doc. Welcome, Hanen!

25.02.2021 
Our paper "Photophysics of charge transfer complexes formed by tetracene  and strong acceptors" has been accepted for publication in The Journal of Physical Chemistry C! Congratulations, Ana!

24.02.2021 
Our paper "Optical fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions" has been accepted for publication in The Journal of Physical Chemistry Letters! Congratulations, Ana and Richard!

15.02.2021 
Our paper "Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping" has been accepted for publication in PCCP. Congratulations, Jannis and Ana!

01.02.2021 
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" starts today! Ready, steady, go!

01.02.2021 
Daphne joins the EST group today. She will be our new assistant! Welcome, Daphne! 

07.01.2021 
Katherine joins the EST group today for a 3-month internship. Welcome, Katherine! 

16.12.2020 
Timo joins the EST group today. Welcome, Timo! 

01.12.2020 
Daniel joins the EST group today. Welcome, Daniel! 

24.11.2020 
Our paper "Electronic and Optical Properties of Protonated Triazine Derivatives" has been accepted for publication in The Journal of Physical Chemistry C. Congratulations, Michele!

24.11.2020 
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" is on the press!

20.11.2020 
Ray defended his Master's thesis today! Congratulations, Ray!

03.11.2020 
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" has been approved for funding by the Volkswagen Stiftung and by the Niedersächsische Ministerium für Wissenschaft und Kultur within the program "Digitalisierung in den Naturwissenschaften". Our consortium includes Antonietta De Sio, Christoph Lienau, and Ilia Solov'yov from the University of Oldenburg, as well as Frank Jahnke from the University of Bremen. We are looking forward to starting this exciting project!

01.11.2020 
Our project "Elucidation of the aging mechanisms of new types cathode active materials via operando XAS / XES (operaXX)" starts today! Ready, steady, go!

23.10.2020 
Our paper “In-situ functionalization of graphene” was accepted for publication on 2D Materials. Congratulations to Ana for this nice work and to Kirill & Kirill for this nice HIOS collaboration!

25.09.2020 
Our project "Elucidation of the aging mechanisms of new types cathode active materials via operando XAS / XES (operaXX)" has been approved for funding by the Federal Ministry of Education and Research (BMBF) within the Competence Cluster for Battery Research "AQua" for three years! We are very much looking forward to starting this new adventure with our cooperation partners Prof. Dr. Marcus Bär (HZB) and Prof. Dr. Hubert Gasteiger (TUM).

01.08.2020 
The EST group is growing! Welcome to our new group members Holger and Giovanni! 

10.07.2020 
Our paper “Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules” was accepted for publication on The Journal of Chemical Physics. Congratulations to Jannis and Ana for this nice work and special thanks to Stefano and Carlo Andrea for this nice collaboration!

23.06.2020 
Our paper “Quantitative Analysis of Doping-Induced Polarons and Charge-Transfer Complexes of Poly(3-hexylthiophene) in Solution” was accepted for publication on The Journal of Physical Chemistry B. Congratulations to Jannis, Michele, and Ana for this nice work, and to all the other coauthors for this nice collaboration!

15.06.2020 
Advance Science News publishes Caterina’s contribution “X-ray fingerprints of novel photocathode materials: A new route for theory and experiments to join hands”, featuring her recently published article on Physica Status Solidi – Rapid Research Letters.

05.06.2020 
Our paper “Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from Ab initio Many-Body Theory” was accepted for publication on The Journal of Physical Chemistry C. Congratulations to Richard and Ana for this nice work!

11.05.2020
Our paper “X‐Ray Absorption Fingerprints from Cs Atoms in Cs₃Sb” has been accepted for publication on Physica Status Solidi – Rapid Research Letters. It's open access! Check it out!!

01.04.2020
Here we are! The EST Group has landed in Oldenburg! Caterina, Michele, and Ana are already here! I can’t wait to do great science in this beautiful town and in this pleasant scientific environment!