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Computational Chemistry, Materials Science, Polymer Physics, Engineering Education, Multiscale Modeling
Germany, United States

Biography

Dirk Reith studied physics and mathematics at Mainz and Uppsala Universities. After graduation in 1998, he joined the MPI for Polymer Research, Mainz, where he completed his Ph.D. in physical chemistry in 2001. After four years in industry (DaimlerChrysler, Stuttgart), he founded the Computational Chemical Engineering Group at Fraunhofer SCAI, Sankt Augustin in 2006.

Since 2012, Reith holds a professorship for modeling and simulation at BRSU with emphasis in soft matter and method development in the Department of Electrical Eng, Mechanical Eng, and Technical Journalism. Tackled research problems usually stretch over several length and time scales. Therefore, methods include molecular simulations and CFD using the Lattice-Boltzmann Method. Since 2013, Dirk Reith acts as faculty advisor of BRSUs Formula Student Electric team. Last but not least, he is one of the scientific directors of BRSU's Institute for Technology, Resource and Energy-Efficient Engineering (TREE), since its foundation in 2014.

Quote: "It is a very stimulating challenge to work interdisciplinary and to deal efficiently with many different length- and time-scales in soft-matter modeling. To transform the insight from small scales into innovation on the large scales is a great reward whenever it succeeds."

Activities

Employment (3)

Hochschule Bonn-Rhein-Sieg: Sankt Augustin, Nordrhein-Westfalen, DE

2012-09-01 to present | Professor (Mechanical Engineering & TREE Institute)
Employment
Source: Self-asserted source
Dirk Reith

Fraunhofer-Gesellschaft: Sankt Augustin, DE

2006-09-01 to 2012-08-31 | Group Leader, Computational Chemical Engineering (SCAI Insittute)
Employment
Source: Self-asserted source
Dirk Reith

Daimler AG: Stuttgart, Baden-Württemberg, DE

2002-02-01 to 2006-03-31 | Business Analyst (Global Ordering)
Employment
Source: Self-asserted source
Dirk Reith

Education and qualifications (2)

Max-Planck-Gesellschaft: Mainz, DE

1998-10-01 to 2002-01-31 | PhD (MPI for Polymer Research, Theory Division)
Education
Source: Self-asserted source
Dirk Reith

Johannes Gutenberg Universität Mainz: Mainz, Rheinland-Pfalz, DE

1992-10-01 to 1998-09-22 | Diploma (Physics) (Mathematik und Physik)
Education
Source: Self-asserted source
Dirk Reith

Professional activities (9)

Verein Deutscher Ingenieure eV: Dusseldorf, Nordrhein-Westfalen, DE

2014 to present
Membership
Source: Self-asserted source
Dirk Reith

DECHEMA Gesellschaft für Chemische Technik und Biotechnologie eV: Frankfurt am Main, Hessen, DE

2011 to present
Membership
Source: Self-asserted source
Dirk Reith

American Chemical Society: Washington D.C., District of Columbia, US

2009 to present
Membership
Source: Self-asserted source
Dirk Reith

American Institute of Chemical Engineers: New York, NY, US

2006 to present
Membership
Source: Self-asserted source
Dirk Reith

Deutsche Physikalische Gesellschaft e.V.: Bad Honnef, Nordrhein-Westfalen, DE

1994 to present
Membership
Source: Self-asserted source
Dirk Reith

Land Nordrhein-Westfalen: Dusseldorf, Nordrhein-Westfalen, DE

2021 | digiFellow
Distinction
Source: Self-asserted source
Dirk Reith

Hochschule Bonn-Rhein-Sieg: Sankt Augustin, DE

2020-10-01 | HBRS Teaching Award
Distinction
Source: Self-asserted source
Dirk Reith

University of California: Davis, CA, US

2017-10-01 to 2017-12-01 | Visiting Professor (Chemical Engineering)
Invited position
Source: Self-asserted source
Dirk Reith

Hochschule Bonn-Rhein-Sieg: Sankt Augustin, DE

2014-10-04 | HBRS Innovation Award
Distinction
Source: Self-asserted source
Dirk Reith

Funding (1)

Works (50 of 96)

Items per page:
Page 1 of 2

Models for International Collaborations to Nurture Students into Global Engineers

2025 | Book chapter
Contributors: Renetta Garrison Tull; Jamie Gurganus; Dirk Reith; Libis Valdez Cervantes; Xu Lihui; Iris Groß; Michael Malschützky; Sundiata Jangha; Catalina Aranzazu-Suescun; Luis Alberto Cruz Salazar et al.
Source: check_circle
Crossref

Fine-Tuning Property Domain Weighting Factors and the Objective Function in Force Field Parameter Optimization

ChemRxiv
2024 | Other
EID:

2-s2.0-85191651737

Part of ISSN: 25732293
Contributors: Strickstrock, R.; Hagg, A.; Hülsmann, M.; Kirschner, K.N.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier
grade
Preferred source (of 2)‎

Modellbildung und Simulation

2024 | Book
ISBN:

978-3-658-44250-7

Contributors: Dirk Reith; Martin Schenk; Gerd Steinebach
Source: Self-asserted source
Dirk Reith via Deutsche Nationalbibliothek (DNB)

Mimicking Polymer Processing Conditions on the Meso-Scale: Relaxation and Crystallization in Polyethylene Systems after Uni- and Biaxial Stretching

Molecules
2024-07-18 | Journal article
Contributors: Dirk Grommes; Olaf Bruch; Dirk Reith
Source: check_circle
Crossref
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Fine-Tuning Property Domain Weighting Factors and the Objective Function in Force Field Parameter Optimization

2024-03-08 | Preprint
Contributors: Robin Strickstrock; Alexander Hagg; Marco Hülsmann; Karl Kirschner; Dirk Reith
Source: check_circle
Crossref

Assessment of lattice Boltzmann method for low-rise building wind flow simulation with limited resources

Discrete and Continuous Dynamical Systems - S
2023 | Journal article
Part of ISSN: 1937-1632
Part of ISSN: 1937-1179
Contributors: Martin L. Kliemank; Dominik Wilde; Mario C. Bedrunka; Andreas Krämer; Holger Foysi; Dirk Reith
Source: Self-asserted source
Dirk Reith

Optimum Real Time Estimation and Interfacing of Braking Points for Racing Car

IEEE Transactions on Vehicular Technology
2023 | Journal article
EID:

2-s2.0-85139848833

Part of ISSN: 19399359 00189545
Contributors: Peitzmeier, F.; Mockenhaupt, J.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier
grade
Preferred source (of 2)‎

A Methodology for Integrating Hierarchical VMAP-Data Structures into an Ontology Using Semantically Represented Analyses

Information
2023-12-29 | Journal article
Contributors: Philipp Spelten; Morten-Christian Meyer; Anna Wagner; Klaus Wolf; Dirk Reith
Source: check_circle
Crossref
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A Novel Approach to Predict the Structural Dynamics of E-Bike Drive Units by Innovative Integration of Elastic Multi-Body-Dynamics

Vehicles
2023-09-23 | Journal article
Contributors: Kevin Steinbach; Dominik Lechler; Peter Kraemer; Iris Groß; Dirk Reith
Source: check_circle
Crossref
grade
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Efficient Quality Diversity Optimization of 3D Buildings through 2D Pre-Optimization

Evolutionary Computation
2023-09-01 | Journal article
Contributors: Alexander Hagg; Martin L. Kliemank; Alexander Asteroth; Dominik Wilde; Mario C. Bedrunka; Holger Foysi; Dirk Reith
Source: check_circle
Crossref
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Attracting Engineering Students to Non-Technical Seminars by Including International Student Competitions Into the Regular Engineering Curriculum

2023 IEEE Global Engineering Education Conference (EDUCON)
2023-05-01 | Conference paper
Contributors: Alexander Rundau; Dennis Günther; Jan Behrendt; Daniel Röthgen; Martina Grein; Dirk Reith
Source: Self-asserted source
Dirk Reith
grade
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Stratified Taylor–Green vortex by lattice Boltzmann methods: Influence of stencils, forcing schemes, and collision models

Computers & Fluids
2023-04 | Journal article
Contributors: Dominik Wilde; Sheel Nidhan; Hieu T. Pham; Holger Foysi; Dirk Reith; Sutanu Sarkar
Source: check_circle
Crossref
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Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization

Journal of Chemical Information and Modeling
2023-04-10 | Journal article
Contributors: Max Müller; Alexander Hagg; Robin Strickstrock; Marco Hülsmann; Alexander Asteroth; Karl N. Kirschner; Dirk Reith
Source: check_circle
Crossref
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A metal hydride system for a forklift: Feasibility study on on-board chemical storage of hydrogen using numerical simulation

International Journal of Hydrogen Energy
2022 | Journal article
EID:

2-s2.0-85108966229

Part of ISSN: 03603199
Contributors: Bedrunka, M.; Bornemann, N.; Steinebach, G.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Bachelor’s Program “Sustainable Engineering” at Bonn-Rhein-Sieg University of Applied Sciences: Development, Concept and Practical Experience

World Sustainability Series
2022 | Book chapter
EID:

2-s2.0-85133792657

Part of ISSN: 21997381 21997373
Contributors: Franke, D.; Meilinger, S.; Groß, I.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

How self-reliant Peer Teaching can be set up to augment learning outcomes for university learners

IEEE Global Engineering Education Conference, EDUCON
2022 | Conference paper
EID:

2-s2.0-85130465954

Part of ISSN: 21659567 21659559
Contributors: Reith, D.; Grein, M.; Rothgen, D.; Behrendt, J.; Held, T.; Malschutzky, M.; Gross, I.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data

Computer Physics Communications
2022 | Journal article
EID:

2-s2.0-85123701030

Part of ISSN: 00104655
Contributors: Strickstrock, R.; Hülsmann, M.; Reith, D.; Kirschner, K.N.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Self-reliant peer teaching as an additional dimension of university-level education for high potentials

IEEE Global Engineering Education Conference, EDUCON
2022 | Conference paper
EID:

2-s2.0-85130445960

Part of ISSN: 21659567 21659559
Contributors: Gross, I.; Malschutzky, M.; Held, T.; Behrendt, J.; Rothgen, D.; Grein, M.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Initial Crystallization Effects in Coarse-Grained Polyethylene Systems After Uni- and Biaxial Stretching in Blow-Molding Cooling Scenarios

Polymers
2022-11-26 | Journal article
Contributors: Dirk Grommes; Martin R. Schenk; Olaf Bruch; Dirk Reith
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

Lettuce: PyTorch-Based Lattice Boltzmann Framework

2021 | Book chapter
Contributors: Mario Christopher Bedrunka; Dominik Wilde; Martin Kliemank; Dirk Reith; Holger Foysi; Andreas Krämer
Source: check_circle
Crossref
grade
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Investigation of Crystallization and Relaxation Effects in Coarse-Grained Polyethylene Systems after Uniaxial Stretching

Polymers
2021-12-20 | Journal article
Contributors: Dirk Grommes; Martin R. Schenk; Olaf Bruch; Dirk Reith
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

3D-Printed Replica and Porcine Explants for Pre-Clinical Optimization of Endoscopic Tumor Treatment by Magnetic Targeting

Cancers
2021-11-01 | Journal article
Contributors: Anjali A. Roeth; Ian Garretson; Maja Beltz; Till Herbold; Maximilian Schulze-Hagen; Sebastian Quaisser; Alex Georgens; Dirk Reith; Ioana Slabu; Christian D. Klink et al.
Source: check_circle
Crossref
grade
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High-order semi-Lagrangian kinetic scheme for compressible turbulence

Physical Review E
2021-08-06 | Journal article
Contributors: Dominik Wilde; Andreas Krämer; Dirk Reith; Holger Foysi
Source: check_circle
Crossref
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Preferred source (of 4)‎

Cubature rules for weakly and fully compressible off-lattice Boltzmann methods

Journal of Computational Science
2021-04 | Journal article
Contributors: Dominik Wilde; Andreas Krämer; Mario Bedrunka; Dirk Reith; Holger Foysi
Source: check_circle
Crossref
grade
Preferred source (of 4)‎

Reaction behavior modeling of metal hydride based on FeTiMn using numerical simulations

2021-01-19 | Other
Contributors: Mario Bedrunka; Nils Bornemann; Gerd Steinebach; Dirk Reith
Source: check_circle
Crossref

Determination of relevant mechanical properties for the production process of polyethylene by using mesoscale molecular simulation techniques

Soft Materials
2020 | Journal article
EID:

2-s2.0-85079465766

Contributors: Grommes, D.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Editorial: tailor-made approaches on use of multiscale modeling for research on soft materials–capabilities, restrictions and future possibilities

Soft Materials
2020 | Journal article
EID:

2-s2.0-85083572109

Part of ISSN: 15394468 1539445X
Contributors: Carbone, P.; Faller, R.; Qian, H.-J.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Sustaining complex projects by linking in- and off-curriculum elements: The BRSU Racing Engineer Certificate

IEEE Global Engineering Education Conference, EDUCON
2020 | Conference paper
EID:

2-s2.0-85087885620

Part of ISSN: 21659567 21659559
Contributors: Reith, D.; Blume, C.; Grein, M.; Haedecke, T.; Konemann, D.; Malschutzky, M.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

The performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries

Soft Materials
2020 | Journal article
EID:

2-s2.0-85079377953

Contributors: Kirschner, K.N.; Reith, D.; Heiden, W.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Semi-Lagrangian lattice Boltzmann method for compressible flows

Physical Review E
2020-05-08 | Journal article
Contributors: Dominik Wilde; Andreas Krämer; Dirk Reith; Holger Foysi
Source: check_circle
Crossref
grade
Preferred source (of 5)‎

Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture

Journal of Chemical & Engineering Data
2020-03-12 | Journal article
Contributors: Martin R. Schenk; Thorsten Köddermann; Karl N. Kirschner; Sandra Knauer; Dirk Reith
Source: check_circle
Crossref
grade
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Lattice Boltzmann simulations on irregular grids: Introduction of the NATriuM library

Computers & Mathematics with Applications
2020-01 | Journal article
Contributors: Andreas Krämer; Dominik Wilde; Knut Küllmer; Dirk Reith; Holger Foysi; Wolfgang Joppich
Source: check_circle
Crossref
grade
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An integrative simulation concept for extrusion blow molded plastic bottles

Finite Elements in Analysis and Design
2019 | Journal article
EID:

2-s2.0-85068369433

Contributors: Michels, P.; Grommes, D.; Oeckerath, A.; Reith, D.; Bruch, O.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Deeper theoretical understanding by means of practical experience in electric and electronic circuits for freshmen

IEEE Global Engineering Education Conference, EDUCON
2019 | Conference paper
EID:

2-s2.0-85067521283

Contributors: Gross, I.; Reith, D.; Grein, M.; Groß, I.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Multistep lattice Boltzmann methods: Theory and applications

International Journal for Numerical Methods in Fluids
2019 | Journal article
EID:

2-s2.0-85060996231

Contributors: Wilde, D.; Krämer, A.; Küllmer, K.; Foysi, H.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Process-dependent structural and deformation properties of extrusion blow molding parts

Polymer Testing
2019 | Journal article
EID:

2-s2.0-85065780116

Contributors: Dorp, E.R.-V.; Blume, C.; Haedecke, T.; Pata, V.; Reith, D.; Bruch, O.; Möginger, B.; Hausnerova, B.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Pseudoentropic derivation of the regularized lattice Boltzmann method

Physical Review E
2019 | Journal article
EID:

2-s2.0-85070556140

Contributors: Krämer, A.; Wilde, D.; Küllmer, K.; Reith, D.; Foysi, H.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

The international chair - Concept and benefits of a new interdisciplinary faculty position

IEEE Global Engineering Education Conference, EDUCON
2019 | Conference paper
EID:

2-s2.0-85067436481

Contributors: Kirschner, K.; Bode, J.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

The Performance of Dunning, Jensen and Karlsruhe Basis Sets on Computing Relative Energies and Geometries

2019 | Book
Contributors: Karl N. Kirschner; Dirk Reith; Wolfgang Heiden
Source: Self-asserted source
Dirk Reith via Deutsche Nationalbibliothek (DNB)
grade
Preferred source (of 4)‎

ACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS

SoftwareX
2019-07 | Journal article
Part of ISSN: 2352-7110
Contributors: Austen Bernardi; Roland Faller; Dirk Reith; Karl N. Kirschner
Source: Self-asserted source
Dirk Reith

Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

Journal of Chemical Theory and Computation
2019-06-11 | Journal article
Contributors: Andreas Krämer; Frank C. Pickard, IV; Jing Huang; Richard M. Venable; Andrew C. Simmonett; Dirk Reith; Karl N. Kirschner; Richard W. Pastor; Bernard R. Brooks
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

SkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry

Chemie-Ingenieur-Technik
2018 | Journal article
EID:

2-s2.0-85041170380

Part of ISSN: 15222640 0009286X
Contributors: Vrabec, J.; Bernreuther, M.; Bungartz, H.-J.; Chen, W.-L.; Cordes, W.; Fingerhut, R.; Glass, C.W.; Gmehling, J.; Hamburger, R.; Heilig, M. et al.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

The impact of efficiency enhanced drivetrain components on the energy consumption of electric and conventional vehicles

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

Physical Review E
2018 | Journal article
EID:

2-s2.0-85043455333

Contributors: Küllmer, K.; Krämer, A.; Joppich, W.; Reith, D.; Foysi, H.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Small Alcohols Revisited: CCSD(T) Relative Potential Energies for the Minima, First- and Second-Order Saddle Points, and Torsion-Coupled Surfaces

ACS Omega
2018-01-31 | Journal article
Contributors: Karl N. Kirschner; Wolfgang Heiden; Dirk Reith
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Calculation of chemical equilibria in multi-phase: Multicomponent systems

Scientific Computing and Algorithms in Industrial Simulations: Projects and Products of Fraunhofer SCAI
2017 | Book
EID:

2-s2.0-85042427879

Contributors: Hülsmann, M.; Klaassen, B.; Krämer, A.; Krämer-Fuhrmann, O.; Pangalela, T.; Reith, D.; Hack, K.; Linden, J.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Interfacial Tension and Related Properties of Ionic Liquids in CH<inf>4</inf> and CO<inf>2</inf> at Elevated Pressures: Experimental Data and Molecular Dynamics Simulation

Journal of Chemical and Engineering Data
2017 | Journal article
EID:

2-s2.0-85027692497

Contributors: Knauer, S.; Schenk, M.R.; Köddermann, T.; Reith, D.; Jaeger, P.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier

Molecular dynamics simulation of membrane free energy profiles using accurate force field for ionic liquids

Scientific Computing and Algorithms in Industrial Simulations: Projects and Products of Fraunhofer SCAI
2017 | Book chapter
EID:

2-s2.0-85042453724

Contributors: Köddermann, T.; Schenk, M.R.; Hülsmann, M.; Krämer, A.; Kirschner, K.N.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier
grade
Preferred source (of 2)‎

Practical undergraduate projects within the BRSU race academy: An example for conducting a new tutored peer-teaching learning approach

IEEE Global Engineering Education Conference, EDUCON
2017 | Conference paper
EID:

2-s2.0-85023644780

Contributors: Reith, D.; Haedecke, T.; Schulz, E.; Langel, L.; Gemein, L.; Gros, I.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier
grade
Preferred source (of 2)‎

Relative electronic and free energies of octane's unique conformations

Molecular Physics
2017 | Journal article
EID:

2-s2.0-85006160508

Contributors: Kirschner, K.N.; Heiden, W.; Reith, D.
Source: Self-asserted source
Dirk Reith via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (7 reviews for 4 publications/grants)

Review activity for Computer physics communications. (2)
Review activity for Journal of chemical theory and computation : (3)
Review activity for Macromolecules. (1)
Review activity for The journal of physical chemistry. (1)