Technische Universität Braunschweig
  • Study & Teaching
    • Beginning your Studies
      • Prospective Students
      • Degree Programmes
      • Application
      • Fit4TU
      • Why Braunschweig?
    • During your Studies
      • Fresher's Hub
      • Term Dates
      • Courses
      • Practical Information
      • Beratungsnavi
      • Additional Qualifications
      • Financing and Costs
      • Special Circumstances
      • Health and Well-being
      • Campus life
    • At the End of your Studies
      • Discontinuation and Credentials Certification
      • After graduation
      • Alumni
    • For Teaching Staff
      • Strategy, Offers and Information
      • Learning Management System Stud.IP
    • Contact
      • Study Service Centre
      • Academic Advice Service
      • Student Office
      • Career Service
  • Research
    • Research Profile
      • Core Research Areas
      • Clusters of Excellence at TU Braunschweig
      • Research Projects
      • Research Centres
      • Professors‘ Research Profiles
    • Early Career Researchers
      • Support in the early stages of an academic career
      • PhD-Students
      • Postdocs
      • Junior research group leaders
      • Junior Professorship and Tenure-Track
      • Habilitation
      • Service Offers for Scientists
    • Research Data & Transparency
      • Transparency in Research
      • Research Data
      • Open Access Strategy
      • Digital Research Announcement
    • Research Funding
      • Research Funding Network
      • Research funding
    • Contact
      • Research Services
      • Academy for Graduates
  • International
    • International Students
      • Why Braunschweig?
      • Degree seeking students
      • Exchange Studies
      • TU Braunschweig Summer School
      • Refugees
      • International Student Support
      • International Career Service
    • Going Abroad
      • Studying abroad
      • Internships abroad
      • Teaching and research abroad
      • Working abroad
    • International Researchers
      • Welcome Support for International Researchers
      • Service for Host Institutes
    • Language and intercultural competence training
      • Learning German
      • Learning Foreign Languages
      • Intercultural Communication
    • International Profile
      • Internationalisation
      • International Cooperations
      • Strategic partnerships
      • International networks
    • International House
      • About us
      • Contact & Office Hours
      • News and Events
      • International Days
      • 5th Student Conference: Internationalisation of Higher Education
      • Newsletter, Podcast & Videos
      • Job Advertisements
  • TU Braunschweig
    • Our Profile
      • Aims & Values
      • Regulations and Guidelines
      • Alliances & Partners
      • The University Development Initiative 2030
      • Facts & Figures
      • Our History
    • Career
      • Working at TU Braunschweig
      • Vacancies
    • Economy & Business
      • Entrepreneurship
      • Friends & Supporters
    • General Public
      • Check-in for Students
      • CampusXperience
      • The Student House
      • Access to the University Library
    • Media Services
      • Communications and Press Service
      • Services for media
      • Film and photo permits
      • Advices for scientists
      • Topics and stories
    • Contact
      • General Contact
      • Getting here
  • Organisation
    • Presidency & Administration
      • Executive Board
      • Designated Offices
      • Administration
      • Committees
    • Faculties
      • Carl-Friedrich-Gauß-Fakultät
      • Faculty of Life Sciences
      • Faculty of Architecture, Civil Engineering and Environmental Sciences
      • Faculty of Mechanical Engineering
      • Faculty of Electrical Engineering, Information Technology, Physics
      • Faculty of Humanities and Education
    • Institutes
      • Institutes from A to Z
    • Facilities
      • University Library
      • Gauß-IT-Zentrum
      • Professional and Personnel Development
      • International House
      • The Project House of the TU Braunschweig
      • Transfer Service
      • University Sports Center
      • Facilities from A to Z
    • Equal Opportunity Office
      • Equal Opportunity Office
      • Family
      • Diversity for Students
  • Search
  • Quicklinks
    • People Search
    • Webmail
    • cloud.TU Braunschweig
    • Messenger
    • Cafeteria
    • Courses
    • Stud.IP
    • Library Catalogue
    • IT Services
    • Information Portal (employees)
    • Link Collection
    • DE
    • EN
    • Bluesky
Menu
  • Organisation
  • Faculties
  • Faculty of Life Sciences
  • Institutes
  • Physical and Theoretical Chemistry
  • Theoretical Chemistry
  • People
Logo Institut für Physikalische und Theoretische Chemie der TU Braunschweig

Johannes Vornweg

Johannes Vornweg
Johannes Vornweg
Home Office
-
j.vornweg(at)tu-braunschweig.de
Profile

Address

Gaußstraße 17
38106 Braunschweig
Germany

 


Research

Quantum-Chemical Embedding Methods for Modeling Protein–Drug Interactions
https://www.tu-braunschweig.de/en/pvz/projekte-1/translate-to-english-drug-discovery-und-chemieinformatik-fuer-neue-antiinfektiva-ica


Curriculum Vitae

  • since 05/2020:  Ph.D. student in the Jacob group, TU Braunschweig
  • 05/2018 – 04/2020:  Master of Science, Chemistry, TU Braunschweig
  • 10/2014 – 05/2018:  Bachelor of Science, Chemistry, TU Braunschweig

Conferences and Workshops

  • 02/2023:  WAMCC - Workshop on Advanced Methods in Computational Chemistry
    Talk: Subsystem Quantum Chemistry and Fragmentation Schemes
  • 09/2022:  STC - Symposium on Theoretical Chemistry, Heidelberg
    Poster: A Simple and Consistent Quantum-Chemical Fragmentation Scheme for Proteins that Includes Two-Body Contributions
  • 06/2022:  iCA Workshop - Drug Discovery and Cheminformatics for New Anti-Infectives Workshop
    Poster: Molecular Fractionation with Conjugate Caps Paired with the Second Order Many Body Expansion - MFCC-MBE(2)
  • 03/2022:  WAMCC - Workshop on Advanced Methods in Computational Chemistry
    Talk: MFCC/MBE/GMFCC
  • 10/2021:  iCA Workshop - Drug Discovery and Cheminformatics for New Anti-Infectives Workshop
    Talk: Quantum-Chemical Embedding Methods for Modeling Protein-Drug Interactions
    Poster: Quantum-Chemical Embedding Methods for Modeling Protein-Drug Interactions

Publications

6: The density-based many-body expansion for polypeptides and proteins

Johannes R. Vornweg, Toni M. Maier, Christoph R. Jacob

Phys. Chem. Chem. Phys. (2025)

Preprint VersionOnline Version  

db-MFCC-MBE(2)

5: Protein-Ligand Interaction Energies from Quantum-Chemical Fragmentation Methods: Upgrading the MFCC-Scheme with Many-Body Contributions

MFCC-MBE scheme

Johannes R. Vornweg, Christoph R. Jacob

J. Phys. Chem. B 128 (2024), 11597 -11606 

Preprint VersionOnline Version 

4: A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions

MFCC-MBE(2)

Johannes R. Vornweg, Mario Wolter, Christoph R. Jacob

J. Comput. Chem. 44 (2023), 1634-1644

Preprint VersionOnline Version

3: Accurate quantum-chemical fragmentation calculations for ion–water clusters with the density-based many-body expansion

Density-Based Many-Body-Expansion

Stefanie Schürmann, Johannes R. Vornweg, Mario Wolter, Christoph R. Jacob

Phys. Chem. Chem. Phys. 25 (2022), 736-748

Preprint Version Online Version

2: Biomimetic Enterobactin Analogue Mediates Iron-Uptake and Cargo Transport into E. coli and P. aeruginosa

Robert Zscherp, Janetta Coetzee, Johannes Vornweg, Jörg Grunenberg, Jennifer Herrmann, Rolf Müller, Philipp Klahn

Chem. Sci. (2021) 

Preprint Version Online Version

1: A new ultrafast energy funneling material harvests three times more diffusive solar energy for GaInP photovoltaics

Marcel M. Willich, Lucas Wegener, Johannes Vornweg, Manuel Hohgardt, Julia Nowak, Mario Wolter, Christoph R. Jacob, and Peter Jomo Walla

PNAS 52 (2020), 32929–32938

Online Version

Photo credits on this page

Research

Research Groups
Bauerecker Group
Hohm Group 
Jacob Group
Maul Group
Proppe Group
Tschierlei Group 
Walla Group

Associated Groups
Muñoz Group (GRS)

Emeriti
Becker Group
Gericke Group

Institute

Personnel
Institute Director
Executive Board
Staff

Facilities
Workshop
School lab (G)
Agnes Pockels lab

Documents
Institute Rules (G)
Operation Manuals
Laser safety
Emergency leaflet

 

Service

Campus Map (G)
Events Calendar (G)
TU Public Announcements
Whistle Blowing (G)

Ticket GITZ (G)
Ticket Facilities Management (G)
Energy Web Portal (G)

(G) German only

Contact

Technische Universität Braunschweig
Institute of Physical und Theoretical Chemistry

Gaußstraße 17
38106 Braunschweig
P. O. Box 3329
38023 Braunschweig
Germany
Phone +49 531 3915325

In case of emergency

© Technische Universität Braunschweig
Legal Notice Privacy Accessibility

TU Braunschweig uses the software Matomo for anonymised web analysis. The data serve to optimise the web offer.
You can find more information in our data protection declaration.