Gryn'ova Computational Carbon Chemistry
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Former group members

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Rostislav Fedorov

2022-2025 @ CCC: PhD student in chemical machine learning within the SIMPLAIX at Heidelberg Institute for Theoretical Studies (HITS gGmbH). Thesis "Machine Learning for Organic Electrode Materials" with magna cum laude (1.25) from Heidelberg University.

After CCC: TBA

E-mail: [email protected]
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Patrick Fitzsimon

​2024-2025 @ CCC: MSci student working on "Cumulative Approach to Non-Covalent Interactions", School of Chemistry, University of Birmingham.

​E-mail: 
[email protected]
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Lukrécia Mértova

​Visiting PhD student (April-September 2024)
Supervisor – Dr. Wolfgang Müller
Heidelberg Institute for Theoretical Studies (HITS gGmbH)
and University of Bamberg

​E-mail: [email protected]; 
[email protected]​
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Dr. Christopher Ehlert

​2019-2024 @ CCC: Postdoctoral researcher working primarily on graphene chemistry and electrochemistry at Heidelberg Institute for Theoretical Studies (HITS gGmbH).

After CCC: R&D consulting


​E-mail: please contact Christopher via his LinkedIn or ResearchGate
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Dr. Anna Piras

2019-2024 @ CCC: PhD student in graphene chemistry at Heidelberg Institute for Theoretical Studies (HITS gGmbH). Thesis "Predicting Adsorbent and Electronic Properties of Graphene-Based Materials" with magna cum laude (1.0) from Heidelberg University.

After CCC: Researcher, Theoretical and Computational Chemistry Laboratory, Institute for the Chemistry of Organometallic Compounds (CNR-ICCOM, Pisa, Italy).

​E-mail: [email protected]
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Alessandro Calzolari

2023-2024 @ CCC: PhD student in the ERC-StG PATTERNCHEM project at Heidelberg Institute for Theoretical Studies (HITS gGmbH).

​After CCC: PhD student in the Theoretical Chemistry group (supervisor – Prof. A. Kuleff, Heidelberg University, Germany).

​E-mail: [email protected]
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Dr. Abderrezak Torche

​2022-2023 @ CCC: Postdoctoral researcher in the ERC-StG PATTERNCHEM project at Heidelberg Institute for Theoretical Studies (HITS gGmbH).
​
After CCC: Research engineer at Black Semiconductor (Aachen, Germany).

E-mail: [email protected]
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Anastasiia Nihei
​
2022-2023 @ CCC: visiting MSc student (V. N. Karazin Kharkiv National University, Ukraine) in the SIMPLAIX project at Heidelberg Institute for Theoretical Studies (HITS gGmbH)..

After CCC: PhD student, Friedrich group (Technische Universität Dresden, Germany).

E-mail: [email protected]
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Dr. Michelle Ernst

2020-2022 @ CCC: SNSF Postdoc.Mobility fellowship on “Analysing and exploiting host-guest interactions in covalent organic frameworks”.
​2022-2023 @ CCC: Postdoctoral researcher in the ERC-StG PATTERNCHEM project at Heidelberg Institute for Theoretical Studies (HITS gGmbH).

After CCC: UZH postdoc grant, Hutter group (University of Zurich, Switzerland).
​
E-mail: [email protected]
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Wojtek Treyde

2021-2022 @ CCC: Semester project on bond dissociation energies in collagen (with Prof. F. Gräter, HITS, and Prof. R. Paton, CSU), Max Planck School “Matter to Life”.

After CCC: visiting MSc student, Columbia University, Max Planck School “Matter to Life”.
​
E-mail: [email protected]
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Juliette Schleicher

2020 @ CCC: Summer semester internship on graphene catalysts for oxygen reduction reaction.
​2021 @ CCC: MSc thesis on “Metallophilicity in Transition Metal Catalysis” (with Prof. S. Hashmi, Heidelberg University).

After CCC: PhD student at LCMD (supervisor – Prof. C. Corminboeuf, EPFL, Switzerland).
​
E-mail: [email protected]

Visiting scientists

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Dr. Debolina Misra

​July-August 2025 @ CCC: Visiting Assistant Professor from IITDM Kancheepuram, working on SAC+COF project.

​E-mail: 
[email protected]
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  • Home
  • Research
    • Codes
  • Publications
    • Original research
    • Reviews & Perspectives
    • Other
    • Journal Club
  • Team
    • Anya
    • Alumni
    • Student projects
    • Jobs
  • Events
    • Conferences
  • Internal
    • Start
    • Money & Travel
    • Infrastructure
    • Recipes
    • Logos & Templates
    • Journal Club
  • Teaching
    • AI & ML for Chemists