Scientist, Author, Teacher, Father, Brewer, Chef
BSc and MSc Chemistry (Frankfurt, 2005-10)
PhD in Chemistry with A. Dreuw (Heidelberg, 2011-15)
Condensed-Phase Photochemistry, Software Development
Feodor-Lynen Postdoc with P. Schwerdtfeger (Auckland, 2016-19)
Phase Transitions, Periodic Trends, Relativistic Effects
Postdoc/Senior Researcher with S. Grimme (Bonn, 2019 - 2023)
Density Functional Theory, Semi-Empirical Quantum Chemistry
Senior Scientist for beeOLED (Dresden, 2021 - present)
Lanthanide-based blue OLEDs
Dr Jan-Michael Mewes
As a computational chemist, I navigate the complex landscapes of excited states, solvation, and periodic trends with a diverse array of quantum-chemical methods. My research bridges molecular and periodic systems by developing intuitive “chemical intuition” models and simulating spectroscopies in close collaboration with experimentalists. I employ a broad hierarchy of techniques and methods—from force-field and semi-empirical methods (including tight binding, SQM, and the GFN-family) for extended simulations of large systems, to high-accuracy approaches like coupled-cluster (CC) and the algebraic-diagrammatic construction (ADC) for small yet challenging systems.
Central to my work is density functional theory (DFT), where I have actively contributed to the development of DFT-based approaches such as DFT-D3/D4 dispersion corrections and the r²SCAN-3c composite method—a journey that has culminated in dedicated lectures and a Best-Practice DFT Perspective in Angewandte.
Another recurring motif in my scientific career is the modeling of photochemical and photophysical processes in condensed phases, utilizing both common and specialized excited-state methods (ΔDFT, TD-DFT, ADC, CC) for purely organic molecules and lanthanide-based OLED materials. A particular focus of this line of research are charge-transfer states, which I capture through advanced solvation models that account for both equilibrium and non-equilibrium effects (e.g., ptSS- and SS-PCM).
Professional Experience
Jan 2021 – present Senior Scientist, beeOLED GmbH, Dresden
Topics: development of lanthanide-based blue emitters
Experiences: startup culture, project management, venture capital
Apr 2021 – Mar 2022 Guest Lecturer, University of Regensburg, Regensburg
Lecture: Density-Functional Theory and Application, M.Sc. curriculum
Jun 2019 – present Postdoc (Returning Scholarship)/Senior Researcher with Prof. Dr. Stefan Grimme,
Mulliken-Center for Theoretical Chemistry, Bonn
Topics: organic electronics, method development, density functional theory, machine learning
Experiences: public research funding, mentoring of PhD students, lecturing
Sep 2016 – May 2019 Postdoc (Feodor-Lynen Scholarship) with Prof. Dr. Peter Schwerdtfeger,
New Zealand Institute for Advanced Study (NZIAS), Massey University, Auckland, New Zealand
Topics: phase transitions, superheavy element chemistry, relativistic effects
Experiences: project management, research in multicultural teams
Mar 2015 – Aug 2016 Postdoc (Scholarship of the HGS MathComp) with Prof. Dr. Andreas Dreuw, Heidelberg
Topics: photochemistry, charge-transfer states, solvent models, multiscale modeling
Experiences: supervision of students, independent research, peer-review
Education
Oct 2010 – Feb 2015 PhD in Theoretical Chemistry with Prof. Dr. Andreas Dreuw, Ruprechts-Karls University, Heidelberg.
Title: „Development and Application of Methods for the Description of Photochemical Processes in Condensed Phase“.
Grade: „summa cum laude“ (with distinction), defended Feb 5th, 2015
Experiences: scientific software development, academic research
Oct 2008 – Sep 2010 Master of Science Chemistry, Goethe University, Frankfurt am Main
Grade: 1.1 (with distinction)
Oct 2005 – Sep 2008 Bachelor of Science Chemistry, Goethe University, Frankfurt am Main
Grade: 1.2 (with distinction)
Sep 1997 – Jul 2005 Highschool Goetheschule, Neu-Isenburg, Majors: Chemistry, Biology
Grade: 1.8
Skills and Experience
Scientist/Inventor 10+ years in academia, 3 years in a startup, expert in the design and investigation of functional molecules for light-related applications,
co-owner of several pending patents on OLED materials and devices
Topics: molecules and light, OLED, density functional theory, solvent models, phase transitions, free energy, periodic trends, lanthanides
Programs: Q-Chem, ORCA, GFN-xTB, VASP, Turbomole, LAMMPs, …
Author/Reviewer Author of 40+ articles in peer-reviewed journals, 20+ times first or corresponding author,
1000+ citations, reviewer for several journals (PCCP, Nat. Chem., JPCL, PNAS, ChemComm, Inorg. Chemistry, JACS…)
Developer Contributions to several quantum-chemical codes and programs (Q-Chem, VASP, xTB), Languages: C++, Python, Bash.
Several years of experience with high-performance computing and big data,
20+ years of experience with office applications (LaTeX, LibreOffice, MS Office)
Languages German (native), English (more than 10 years professional, 3 years in New Zealand)
Mentor/Lecturer Many years of mentoring in international and interdisciplinary groups, 10+ years of teaching seminars and practical courses,
Lecture on density functional theory (14*90 min) and relativistic QC (1*90 min), Supervisor of BSc, MSc, and PhD students
Speaker/Presenter 10+ invited talks in research groups and at international conferences (STC Heidelberg 2022, Bunsen-Tagung 2020/21/22, NCI Lisboa 2019, STC
2018/22, DFT 2022)
Volunteer Elected representative of the PhD students, HGS MathComp, Heidelberg, Oct 2012 – Jan 2014
Organization of a two-day mini-symposium with approx. 100 participants, HGS MathComp, Heidelberg, Nov 2013
Student representative, Frankfurt 2006 – 2010
Organization of the „Night of Science“ Frankfurt 2006 – 2009
Awards and Scholarships
Returning Scholarship Alexander von Humboldt Foundation
Feodor-Lynen Scholarship Alexander von Humboldt Foundation
Poster Award International Congress of Quantum Chemistry, Peking 2015
Dr. Albert Hloch Award Bachelor of Science
List of Publications:
Important ones here | comprehensive list at Google Scholar