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Former Group Members

Péter Szabó

Position: Post-Doc

Years: 2019-2022

Topic: Fundamental Apects of Molecular Forces

Current position: KU Leuven

Martin Stöhr

Position: Ph.D. Student, Post-Doc

Years: 2016-2021

Topic: Long-Range Interactions for Biomolecular Systems

Current position: Post-Doc, Stanford

Anirban Mondal

Position: Post-Doc

Years: 2021

Topic: Machine Learning in Condensed Phase

Current position: Assistant Professor, Indian Institute of Technology, Gandhinagar

Swastika Banerjee

Position: Post-Doc

Years: 2021-2022

Topic: Role of Non-Local Many-Body Dispersion Interactions on Materials' Properties

Current position: Assistant Professor, Department of Chemistry, Indian Institute of Technology, Roorke

Ali Asghar Hakami Zanjani

Position: Ph.D. Student

Years: 2015-2019

Topic: Thermodynamics and Aggregation Kinetics of Lysozyme-Derived Peptides

Current position: Post-Doc, University of Southern Denmark

Katerine Saleme Ruiz

Position: Post-Doc

Years: 2017-2019

Topic: Many-Body Dispersion Interactions in Atomic Chains

Current position: Research Facilitator, University of Luxembourg

Somayeh Khazaei

Position: Post-Doc

Years: 2018-2020

Topic: Many-Body Interactions in Solid States

Farnaz Heidar-Zadeh

Position: Post-Doc

Years: 2017-2019

Topic: Designing new machine learning methods for chemical properties

Current Position: Associate Professor, McMaster University

Dennis Barton

Position: Post-Doc

Years: 2017-2019

Topic: Assessment of precision and reproducibility of vdW dispersion methods in electronic structure calculations

Yasmine Al-Hamdani

Position: Post-Doc

Years: 2017-2019

Topic: Quantum chemical benchmarking interaction energies through Quantum Monte Carlo

Current Position: Post-Doc at University of Zurich

Johannes Hoja

Position: PhD Student

Years: 2014-2018

Topic: Crystal Structure Predictions from First-Principle Calculations

Current Position: Tenure Track, University of Graz (Austria)

Mainak Sadhukhan

Position: Post-Doc

Years: 2016-2018

Topic: van der Waals interactions beyond dipole approxmations

Current Position: Assistant Professor, Department of Chemistry, IIT Kanpur

Jan Hermann

Position: PhD Student

Years: 2013-2017

Topic: Many Body Methods

Current Position: Senior researcher, Microsoft Research Center, Berlin

Guo-Xu Zhang

Position: PhD Student

Years: 2010-2014

Topic: van der Waals in solids

Current Position: Associate Professor at HIT (Harbin Institue of Technology China)

Javier Camarillo-Cisneros

Position: PhD Visitor

Years: 2011-2014

Topic: Adsorption on stepped surfaces

Current Position: Researcher at Cinvestav, Chihuahua (Mexico)

Xiaofei Liu

Position: PhD Visitor

Years: 2016-2018

Topic: Metal-organic networks

Current Position: Associate Professor at Nanjing University of Aeronautics and Astronautics, China

Victor Ruiz

Position: PhD Student

Years: 2011-2016

Topic: van der Waals in Interfaces

Current Position: Research staff member at Helmholtz, Berlin

Vivekanand Gobre

Position: PhD Student

Years: 2011-2016

Topic: Electronic Structure Methods

Current Position: Assistant Professor in Pune, India

Nicola Ferri

Position: PhD Student

Years: 2011-2016

Topic: van der Waals and electronic properties

Current Position: IT in Milan, Italy

Wei Liu

Position: Post-Doc

Years: 2010-2014

Topic: Catalysis, interfaces

Current Position: Full Professor in Nanjing University of Science and Technology, China

Wang Gao

Position: Post-Doc

Years: 2013-2015

Topic: Defects, friction

Current Position: Professor at Jilin University, China

Alberto Ambrosetti

Position: Post-Doc

Years: 2012-2014

Topic: Many-body methods

Current Position: Professor at University of Padova, Italy

Katja Hansen

Position: Post-Doc

Years: 2012-2013

Topic: Machine learning

Current Position: Manager in 3M, Germany

Anthony Reilly

Position: Post-Doc

Years: 2012-2013

Topic: Molecular crystals

Current Position: Professor at City University Dublin

Mausumi Chattopadhyaya

Position: Post-Doc

Years: 2014-2017

Topic: Wetting

Current Position: Assistant Professor in Calcutta, India

Fairoja Cheenicode-Kabeer

Position: Post-Doc

Years: 2015-2017

Topic: Catalysis

Current Position:Post-Doc in Sweden

Gionni Marchetti

Position: Post-Doc

Years: 2014-2016

Topic: Machine learning

Current Position: Post-Doc in Riga

Limin Zheng

Position: Post-Doc

Years: 2015-2016

Topic: Nuclear quantum effects

Current Position: Visiting Professor

Andrii Kleschonok

Position: Post-Doc

Years: 2016-2018

Current Position: Data Scientist at VW Labs, Germany

Majid Mortazvi

Position: Post-Doc

Years: 2016-2018

Current Position: Data Scientist at Siemens, Germany

Huziel Sauceda

Position: Post-Doc

Years: 2017-2022

Topic: Machine learned force fields

Current Position: Assistant Professor, Instituto de Física, Universidad Nacional Autonoma de Mexico

Niccolò Gentile

Position: PhD Student

Years: --

Current Position: --

Mario Galante

Position: Post-Doc

Years: 2019-2023

Topic: van der Waals interactions, Density functional theory

Current Position: Postdoc, Arizona State University

Leonardo Medrano Sandonas

Position: Post-Doc

Years: 2019-2024

Topic: Machine learning methods for understanding the chemical space of molecular systems

Current Position: Research associate, TU Dresden, Germany

Carolin Müller

Position: Post-Doc

Years: 2021-2024

Topic: Theoretical Chemistry, Photochemistry

Current Position: Run.-Prof. for the Theory of Electronically Excited States at FAU Erlangen-Nürnberg, Germany

Jorge Alfonso Charry Martinez

Position: Post-Doc, PhD.

Years: 2023-2024, 2019-2013

Topic: Positronic and positronium chemistry

Gregory Cordeiro Fonseca

Position: Post-Doc, PhD

Years: 2023-2024, 2019-2023

Topic: Machine Learning Force Fields Under the Microscope: Stability, Reliability, and Performance Analysis

Matej Ditte

Position: Post-Doc, PhD

Years: 2023-2024, 2019-2023

Topic: Molecules in Environments: Towards Systematic Quantum Embedding of Electrons and Drude Oscillators

Szabolcs Goger

Position: Post-Doc, PhD

Years: 2023-2024, 2019-2023

Topic: Development of Practical Non-Local Many-Body Polarization Functionals

Dmitry Fedorov

Position: Research Scientist

Years: 2016-2024

Topic: Theoretical Chemical Physics, Solid State Theory, First-Principles Calculations, Spintronics

Current Position:  Research Scientist Skolkovo Institute of Science and Technology, Russia

The work of Prof. Alexandre Tkatchenko is supported in part by the European Research Council under the European Union's Horizon 2020 research and innovation programme (grant agreement n. 725291)  and by FNR.

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