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
I am a computational chemist focusing on excited states, solvation, and periodic trends. As a generalist, I know and employ a wide range of computational approaches to address a wide variety of problems in molecular and periodic systems. Typical aims in my projects are the derivation of working models “chemical intuition” to capture the big picture and the simulation of spectroscopies, often in collaboration with experimentalists. The application-driven development of new approaches is important in many of my projects.
As a result of this general orientation, I have experience with a hierarchy of quantum-chemical methods, ranging from force-field (FF) and semi-empirical methods (GFN-family) for long simulations and large systems, as well as highly accurate approaches for small and highly correlated systems, such as coupled-cluster (CC) and complete active-space self-consistent field (CAS-SCF) theory. In between these two extremes sits density functional theory (DFT), which often is the work-horse of my research. I actively develop DFT-based approaches, such as the DFT-D3/D4 dispersion corrections and the r²SCAN-3c composite DFT method. The experience from my ventures in the DFT world is collected in a DFT lecture and a Best-Practice DFT Perspective in Angewandte.
Another focus of my research is the study of photochemical and photophysical processes in condensed phases. Accordingly, I have many years of experience with common and specialized DFT- and wavefunction-based excited-state methods (TD-DFT, ROKS/PCM, ADC, EOM-CC) for purely organic molecules and their application on lanthanide-based blue emitters for OLEDs. A particular focus is the - in my experience - often overlooked influence of the environment, particularly for charge-transfer states, which I include through solvation models for equilibrium and non-equilibrium solvation (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