2025
2024
- Scope of physics-based
simulation artefacts, International Workshop on Designing
the Conceptual Landscape for a XAIR Validation Infrastructure
(DCLXVI), Kaiserslautern, 11 December 2024
- Multiphysics simulation
based data space and digital twin platform design for vanadium
redox-flow batteries, Open Innovation and Digitalization of
Materials and Manufacturing (OIP-2024), Kaiserslautern, 23
October 2024
- Exploration of core concepts
required for mid- and domain-level ontology development to
facilitate explainable-AI-readiness of data and models, IV. International Workshop on Data meets Applied Ontologies in
Explainable AI (DAO-XAI), Santiago de Compostela, 19 October
2024
- Moving from FAIR data
principles to XAIR, CAPE-OPEN Annual Meeting, Berlin, 8
October 2024
- Battery manufacturing
knowledge infrastructure requirements for multicriteria
optimization based decision support in design of simulation,
International Workshop on Semantic Materials Science
(SeMatS), Amsterdam, 17 September 2024
- BatCAT: Integrating physics-based
modelling with logics and data driven methods into actionable modelling and
decision support for battery manufacturing, Battery2030+
Annual Conference, Grenoble, 29 May 2024
- Responsible and reliable
modelling platforms for industrial digitalization, Simula
"sus" Workshop, Simula Research Laboratory, Oslo, 30
April 2024
- Ontologies for
simulation and research workflows, EuMINe COST action kickoff,
Bologna, 11 April 2024
- The new project BatCAT:
Battery cell assembly twin, BIG-MAP European Unified
Battery Data Space Workshop, Grindelwald, 29 January 2024
2023
- Case study on epistemic
metadata in molecular modelling, SAS23 Reliability or
Trustworthiness Workshop, HLRS, Stuttgart, 30 November
2023
- Formal
representation of the grounding and reproducibility of scientific
claims, institutt for datavitenskap, NMBU, Ås, 24
November 2023
- Epistemic
metadata, II. Annual Digital Catalysis &
Catalysis-Related Sciences Conference (ADCR), Frankfurt, 2
November 2023
- Digital
passports and digital twins for battery manufacturing: The
projects DigiPass and BatCAT (starting from 2024), seminar for
materialteori og -informatikk, NMBU, Ås, 28 September
2023
- Strengths and deficits of
CEN Workshop Agreements for data documentation in materials
modelling and characterization, NFDI4Ing Conference,
digital event, 27 September 2023
- Epistemic metadata for computational
engineering information systems, XIII. International
Conference on Formal Ontology in Information Systems (FOIS),
Sherbrooke, 17 July 2023
- Subtraction and
simulation, VIII. GCAS Summer Institute, Prague, 11
June 2023
- European recommendations for
explainable-AI-ready (XAIR) data in materials modelling and
characterization, NORA Annual Conference,
Tromsø, 5 June 2023
- Sega's
correction for the surface tension of fluid interfaces,
seminar for materialteori og -informatikk, NMBU, Ås, 25 May
2023
- European standardization efforts
from FAIR to explainable-AI-ready (XAIR) data documentation in
materials modelling, III. International Conference on
Applied Artificial Intelligence (ICAPAI), Halden, 2 May 2023
2022
2021
- Logic-based
ontological reasoning for NP-hard problems, NMBU, Ås,
23 November 2021
- Interoperability and architecture requirements analysis and
metadata standardization for a research data infrastructure in
catalysis, Workshop on Data and Computation
for Materials Science and Innovation (DACOMSIN), digital
event, 26 October 2021
- Driving industrial innovation with open science, III.
Open Science FAIR, digital event, 22 September 2021
- OSMO: Ontology for simulation, modelling, and
optimization, XII. International Conference on Formal
Ontology in Information Systems (FOIS), Bolzano, 16
September 2021
- Mereosemiotics: Parts and signs, V. Workshop on
Foundational Ontology (FOUST), Bolzano, 13 September
2021
- Knowledge representation for materials modelling marketplaces, Nanotech France, digital event, 24 June 2021
- Domain-specific metadata standardization in
materials modelling, Workshop on Domain Ontologies for RDM
in Industry Commons of Materials and Manufacturing
(DORIC-MM), digital event, 7 June 2021
- Automated metadata extraction and epistemic FAIRness in the
engineering sciences, Data, Society, and Open Science
III, digital event, 30 March 2021
- Semantic interoperability and ontology-driven technology for
simulation workflows, CECAM School on Simulation Workflows
in Materials Modelling (SWiMM), digital event, 16 March
2021
- Digitalisierung in der molekularen Thermodynamik, Institut
für Technische Thermodynamik und Thermische
Verfahrenstechnik, U. Stuttgart, 9 March 2021
- Establishing materials
modelling marketplaces: From interoperability to cooperation,
III. EMMC International Workshop, digital event, 3 March
2021
- Semantic interoperability
based on the European Materials and Modelling Ontology,
XIV. World Congress in Computational Mechanics and ECCOMAS
Congress (WCCM-ECCOMAS), digital event, 13 January 2021
2020
- Ontologies, data
management, and interoperability for digital marketplaces,
EMMC webinar series, 24 November 2020
- Pragmatic interoperability and
translation of industrial engineering problems into modelling and
simulation solutions, XXII. International Conference on
Data Analytics and Management in Data Intensive Domains
(DAMDID), digital event, 13 October 2020
- Ontology-based pragmatic
interoperability between open platforms in materials modelling (video: pre-recorded version), MSE Congress, digital event,
22 September 2020
- Digitalization
in materials modelling: The Virtual Materials Marketplace,
ReaxPro Conference, digital event, 10 July 2020
- Ontology development
for the Virtual Materials Marketplace (VIMMP),
eSSENCE-EMMC e-Meeting on Multiscale Modelling of Materials
and Molecules (video: recorded
version), digital event, 8 June 2020
2019
- Ontology development
for virtual marketplaces in materials modelling, CAPE-OPEN
Annual Meeting, Amsterdam, 22 October 2019
- VIMMP ontologies and
metadata, Fraunhofer IFAM, Bremen, 17 October 2019
- Characterization of
data provenance in computational engineering by an ontological
representation of simulation workflows, Workshop on Data
and Computation for Materials Science and Innovation
(DACOMSIN), Moscow, 15 October 2019
- Molecular model
database of the Boltzmann-Zuse Society for Computational
Molecular Engineering, Workshop on Data and Computation
for Materials Science and Innovation (DACOMSIN), Moscow,
15 October 2019
- Molecular modelling and
simulation of interfacial phenomena (video: excerpt),
Innopolis University, Kazan, 11 October 2019
- VIMMP: The Virtual
Materials Marketplace, Institute for Molecular Science and
Engineering, Imperial College London, 19 September 2019
- Ontologies on marketplaces: VIMMP,
Marketplaces EMMC Expert Group Meeting, Bremen, 19 August
2019
- Reliable and interoperable computational
molecular engineering, IX. International Congress on
Industrial and Applied Mathematics (ICIAM), Valencia, 16 July
2019
- Ontology development at the marketplace level in
VIMMP (video: recorded
version), webinar broadcast from Daresbury, 23 May 2019
- Quantitatively reliable and interoperable computational molecular
engineering, Kolloquium Computer-Aided Integrated Material
and Process Design, U. Magdeburg, 17 May 2019
- Analysis of the
joint training and translation survey, EMMC Workshop on
Training Requirements for Translators, Hamburg, 27 March 2019
- Interoperability
and integration of materials modelling and simulation
platforms, N8CIR Workshop on New Horizons in Materials
Modelling, York, 4 January 2019
2018
- Translation
and the virtual materials marketplace, EMMC Workshop on
Industrial Needs for Translation, Eindhoven, 4 December
2018
- Ontologies
and metadata in VIMMP, CECAM Workshop on Coupling and
Linking, CECAM Lausanne, 8 November 2018
- Toward the
European Virtual Marketplace Ontology, EMMC-CSA Workshop
on Marketplaces and Interoperability (IntOp), Fraunhofer IWM
Freiburg, 6 November 2018
- Massively
parallel MD simulation and multiscale modelling of cavitation, CECAM Workshop Statistical Mechanics of Interfaces: Dynamic
Phenomena, FU Berlin, 5 October 2018
- Multicriteria optimization of molecular force fields: Bulk
properties and the surface tension of fluids, CCP5 Annual
Meeting, U. Manchester, 11 September 2018
- Marketplace
development for modelling and simulation of materials - VIMMP
project, NanoDome User Conference, Cambridge,
4 September 2018
- Multicriteria
optimization for user-adjustable molecular force fields,
eSSENCE Multiscale Modelling of Materials and Molecules
Workshop, Uppsala, Sweden, 13 June 2018
- Interfacial
properties of fluids by massively-parallel molecular dynamics and
multicriteria optimization of molecular models, Molecular
Systems Engineering Seminar, Imperial College London, 8 January
2018
- Computational
molecular engineering in interfacial thermodynamics, CCP5 & N8HPC Workshop on New Horizons in Atomistic Simulation,
York, 5 January 2018
2017
- Reexamination of
the theoretical basis of Tolman's law, XX. International
Conference on Nucleation and Atmospheric Aerosols (ICNAA),
Helsinki, 26 June 2017
- Multicriteria
optimization of molecular force field models, Ulam
Computer Simulation Workshop, Lviv, 23 June 2017
- Tolman's law and
the adsorption equation for nanodispersed phases, XIV.
Joint European Thermodynamics Conference (JETC), Budapest, 23
May 2017
- Molecular dynamics simulation of homogeneous bubble nucleation, XXIX. European Symposium on Applied Thermodynamics
(ESAT), București, 19 May 2017
- Molecular
simulation and theory of homogeneous cavitation,
Jahrestreffen der ProcessNet-Fachgruppe Molekulare
Modellierung (MolMod), Frankfurt am Main, 10 March 2017
- Multicriteria
optimization of force field models for molecular simulation of
interfacial and bulk properties, Indo-German Workshop on
Modelling, Simulation and Optimization, Bankura, West Bengal,
23 February 2017
- Molecular
modelling of wetting behaviour, Department of Chemical
Engineering, IIT Bombay, 25 January 2017
2016
- Molecular
dynamics simulation of nanofluidics and nanomachining, XXIII. IEEE International Conference on HPC, Data and
Analytics (HiPC), Hyderabad, 19 December 2016
- Skalierbare HPC-Software für molekulare Methoden in der chemischen
Industrie, VI. HPC-Statuskonferenz der
Gauß-Allianz, DESY, Hamburg, 29 November 2016
- Activities
in electrolyte solutions by molecular simulation of the osmotic
pressure, AIChE Annual Meeting 2016, San Francisco, 17
November 2016
- Die Tolmangleichung, Fachbereich Maschinenbau und
Verfahrenstechnik, TU Kaiserslautern, 31 October 2016
- Kavitationssimulationen mit ls1 und mögliche
Weiterentwicklungen, VIII. Jahrestagung der
Boltzmann-Zuse-Gesellschaft, Kaiserslautern, 27 October
2016
- Benetzung planarer und strukturierter
Oberflächen, Autumn School DFG-Sonderforschungsbereich
926, Landau, 27 September 2016
- Molekulardynamiksimulation der Nukleation von CO2, DECHEMA- und ProcessNet-Jahrestagung, Aachen, 15
September 2016
- Oberfächenspannung, Benetzung und Kontaktlinienhaftung, Fachbereich Maschinenbau und Verfahrenstechnik, TU
Kaiserslautern, 29 June 2016
- Solvent
activity in electrolyte solutions by molecular simulation of the
osmotic pressure, Physics of Liquid Matter: Modern
Problems (PLMMP), Kyiv, 29 May 2016
- Scalable, performant and resilient large-scale applications of
molecular process engineering, SuperMUC Status Workshop,
Garching, 27 April 2016
2015
- Quantitatively reliable massively-parallel molecular modelling
and simulation of vapour-liquid interfaces, Chemical
Engineering Seminar, Indian Institute of Technology, Kanpur, 30
December 2015
- Multicriteria optimization of molecular force field models,
XVI. NTZ Workshop on Computational Physics, Leipzig, 27
November 2015
- Computational molecular engineering: Scalable
simulation and reliable modelling, Center for Applied
Mathematics, Tianjin U., 16 November 2015
- Nucleation processes and vapor-liquid interfaces of fluid
mixtures, Statistical Mechanics Seminar, UC Berkeley, 6
November 2015
- Scale-bridging
massively-parallel molecular simulation with ls1 mardyn, VIII. International Congress on Industrial and Applied
Mathematics (ICIAM), Beijing, 13 August 2015
- Empirical rules of thumb or molecular modelling?,
VII. Jahrestagung der Boltzmann-Zuse-Gesellschaft,
Kaiserslautern, 29 June 2015
- Homogeneous
nucleation of carbon dioxide by molecular simulation, XIX. Symposium on Thermophysical Properties, Boulder,
Colorado, 25 June 2015
- Reliable
molecular modelling and massively-parallel molecular
simulation, DFG-Sonderforschungsbereich 716, U. Stuttgart,
18 June 2015
- Large-scale MD
simulation of heterogeneous systems with ls1 mardyn, ProcessNet MolMod Workshop, Frankfurt am Main, 23 March
2015
- Computational
molecular engineering by large-scale molecular dynamics
simulation, VII. Indo-German Frontiers of Engineering
Symposium, Agra, India, 22 February 2015
- Molekulare
Simulation industrierelevanter Szenarien, SkaSim-Kolloquium,
Stuttgart, 30 January 2015
2014
- Computational
molecular engineering for engineering thermodynamics, IRTG
2057 Kickoff Meeting, Davis, California, 8 October 2014
- Computational
molecular engineering by massively-parallel molecular
simulation, CECAM Workshop, STFC Daresbury Laboratory, 11
September 2014
- Molecular
modelling and simulation of adsorption and wetting of structured
surfaces, CCP5 Annual Meeting, Harper Adams U., 10
September 2014
- Umstrittene
Definitionen einfacher thermodynamischer Größen,
VI. Jahrestagung der Boltzmann-Zuse-Gesellschaft,
Paderborn, 27 June 2014
- Molecular
simulation of nano-dispersed fluid phases, International
Conference on Thermophysical and Mechanical Properties of
Advanced Materials, Çeşme, Turkey, 14 June
2014
- Interfacial
properties of fluids by computational molecular engineering,
I3MS Seminar, RWTH Aachen, 28 April 2014
- Skalierbare Simulation von Gastrennung und Nukleation mit
ls1, SkaSim-Kolloquium, Stuttgart, 23 - 24 January 2014
2013
- Molecular simulation of aqueous and non-aqueous electrolyte
solutions, AIChE Annual Meeting 2013, San Francisco,
4 November 2013
- Molecular
modelling and simulation of electrolyte solutions, biomolecules,
and wetting of component surfaces, High Performance
Computing in Science and Engineering 2013, XVI. Results
and Review Workshop, HLRS, Stuttgart, 30 September 2013
- Molekulare
Simulation von realen Fluiden an Phasengrenzflächen, Jahrestreffen der ProcessNet-Fachgemeinschaft für
Fluiddynamik und Trenntechnik (FDTT), Würzburg, 27
September 2013
- Molecular
modelling of adsorption on real component surfaces, MedeA Users Group Meeting, Wien, 19 September 2013
- Molekulare
Simulation und Optimierung, Workshop Modellierung,
Simulation und Optimierung (MSO), Kaiserslautern, 17
September 2013
- Molecular simulation of curved vapour-liquid interfaces,
Thermodynamics 2013, Manchester, 5 September 2013
- Molecular simulation of aqueous and non-aqueous
electrolyte solutions, Thermodynamics 2013,
Manchester, 4 September 2013
- Molecular simulation of dispersed fluid phases and hydrogen
bonding fluids, Microporous and Soft Matter Group, U.
Manchester, 3 July 2013
- Molecular
modelling and simulation of hydrogen bonding fluids, II. Symposium on Thermophysical Properties for Technical
Thermodynamics, Rostock, 27 March 2013
- Molecular
simulation of curved interfaces, ProcessNet MolMod
Workshop, Frankfurt am Main, 11 March 2013
2012
- The size
dependence of the vapour-liquid interfacial tension, XIII. NTZ Workshop on Computational Physics, Leipzig, 30
November 2012
- Molecular
thermodynamics of fluids at interfaces, DFH / UFA
Workshop, Kaiserslautern, 5 November 2012
- Molecular modelling of hydrogen bonding fluids,
Thermodynamik-Kolloquium 2012, Potsdam, 10 October
2012
- Interpretation of density profiles and pair correlation
functions, IV. Jahrestagung der
Boltzmann-Zuse-Gesellschaft, Paderborn, 22 June 2012
- Non-equilibrium molecular dynamics simulation of real fluids
in nanoporous materials, Industrial Molecular
Thermodynamics Workshop, Lyon, 19 March 2012
- Molekulare Simulation der Benetzung von
Bauteiloberflächen, Retreat DFG-Sonderforschungsbereich 926,
Heidelberg, 6 March 2012
2011
- Molekulare
Simulation gekrümmter Grenzflächen von Fluiden,
Thermodynamik-Kolloquium 2011, Frankfurt am Main, 5
October 2011
- Molecular
simulation of real fluids in nanofiltration membranes, SimMolMod Workshop, Dortmund, 15 September 2011
- Dependence of the surface tension on curvature - rigorously
determined from the density profiles of nanodroplets,
Thermodynamics 2011, Athens, 1 September 2011
- Avendaños Dämon und ls1 mardyn, III.
Jahrestagung der Boltzmann-Zuse-Gesellschaft,
Kaiserslautern, 28 June 2011
- A new route to evaluate the curvature dependence of the
surface tension by molecular simulation, XXV. European
Symposium on Applied Thermodynamics (ESAT), St. Petersburg,
25 June 2011
- Molekulare Simulation gekrümmter
Dampf-Flüssigkeits-Grenzflächen, Lehrstuhl
für Thermodynamik, TU Dortmund, 16 June 2011
- Molekulare
Methoden für die Simulation von Prozessen an
Phasengrenzflächen, Fachbereich Maschinenbau und
Verfahrenstechnik, TU Kaiserslautern, 9 March 2011
2010
- Surface
analysis algorithms in the mardyn program and the ls1
project, IMEMO-Kolloquium, HLRS, Stuttgart, 15 December
2010
- Methoden zur Berechnung von Grenzflächeneigenschaften, DFG-Sonderforschungsbereich 716, U. Stuttgart, 4 November
2010
- Surface property corrections to the classical nucleation
theory, Centre for Process Systems Engineering, Imperial
College London, 18 October 2010
- Surface property corrected modification of the classical
nucleation theory, CCP5 Annual Meeting, Sheffield
Hallam U., 15 September 2010
- Molekulare Thermodynamik gekrümmter Grenzflächen von
Fluiden, Fakultät für Maschinenbau, U. Paderborn,
10 September 2010
- Molecular simulation of fluid dynamics on the nanoscale,
VI. International Conference on Computational
Fluid Dynamics (ICCFD 6), St. Petersburg, 16 July
2010
- Molecular dynamics simulation of confined multiphasic
systems, VI. International Conference on
Computational Fluid Dynamics (ICCFD 6), St. Petersburg,
15 July 2010
- Capturing the divergence of length and time scales at the
critical point by molecular dynamics simulation,
Competence in High Performance Computing (CiHPC),
Schwetzingen, 22 June 2010
- The curved vapor-liquid interface of the Lennard-Jones
fluid, V. International Conference on
Physics of Liquid Matter: Modern Problems
(PLMMP), Kyiv, 23 May 2010
- Steady state molecular dynamics simulation of nucleation and
droplet surface properties in a supersaturated vapor,
International Workshop on Molecular Modeling and Simulation
for Industrial Applications, Würzburg, 22 March
2010
- MD-Simulation gekrümmter Phasengrenzflächen,
II. Jahrestagung der Boltzmann-Zuse-Gesellschaft,
Paderborn, 2 March 2010
2009
- Funktionalität und Einsatz von ⟨ ls1 |
Mardyn ⟩, IMEMO-Kolloquium,
HLRS, Stuttgart, 22 October 2009
- Molecular
modeling of hydrogen bonding fluids: Vapor-liquid coexistence
and interfacial properties, High Performance Computing
in Science and Engineering 2009, XII. Results
and Review Workshop, HLRS, Stuttgart, 8 October 2009
- Steady
state molecular dynamics simulation of vapour to liquid
nucleation, Thermodynamics 2009, London, 24 September
2009
- Molekulardynamik-Simulation realer Fluide in
Nanokanälen, Status- und Perspektivseminar DFG-Sonderforschungsbereich 716,
Markt Irsee, 21 September 2009
- Poiseuille
flow of liquid methane in nanoscopic graphite channels by
molecular dynamics simulation, VI.
International Symposium on Turbulence, Heat and Mass
Transfer (THMT '09), Sapienza U. di Roma, 14 September
2009
- Steady-state
simulation of homogeneous vapor-liquid nucleation "by the
intervention of intelligent beings", XVIII.
International Conference on Nucleation and Atmospheric
Aerosols (ICNAA), Praha, 14 August 2009
- Steady-state molecular dynamics simulation of vapour to liquid
nucleation with McDonald's daemon, Statistical
Physics: Modern Trends and Applications, Lviv, 25 June
2009
- Grand canonical molecular dynamics simulation of homogeneous
nucleation, BCNucleation-Aggregation Workshop,
U. de Barcelona, 18 June 2009
- Molekulardynamiksimulation nanoskaliger Vorgänge,
Institut für Verfahrenstechnik, U. Paderborn, 10 June
2009
- LS1/Mardyn: Projekt, Simulation,
Entwicklung, I. Jahrestagung der Boltzmann-Zuse-Gesellschaft,
Kaiserslautern, 26 February 2009
2008
- MD study of Poiseuille/Couette flow
and the vapor-liquid interface of methane in nanochannels, Institute of
Computational Physics, U. Stuttgart, 8 December 2008
- MD simulation of methane in
nanochannels, XIII. Congreso Chileno de Ingeniería Mecánica (COCIM), Arica,
Chile, 6 November 2008
- Molekulardynamische Simulation von mehrphasigen Strömungen realer Fluide
in nanoskaligen Kanälen, Statusseminar DFG-Sonderforschungsbereich 716, Pforzheim,
9 September 2008
- Molekulare Simulation von Poiseuilleströmungen zwischen Graphitplatten,
Institut für Technische Thermodynamik und Thermische Verfahrenstechnik, U. Stuttgart, 19 June 2008
- Übersättigte Dämpfe im kanonischen und großkanonischen Ensemble,
Institut für Verfahrens- und Energietechnik, U. für
Bodenkultur Wien, 18 June 2008
- Molekulardynamik im metastabilen μVT-Ensemble, Institut für Technische Thermodynamik und Thermische Verfahrenstechnik,
U. Stuttgart, 29 January 2008
- Molecular dynamics based analysis of nucleation and surface energy of droplets
in supersaturated vapors, ASME Micro/Nanoscale Heat Transfer International
Conference (MNHT08), Tainan, Taiwan, 8 January 2008
2007
2006
- Molekulardynamische Simulation der Keimbildung in übersättigten
Gasen, Institut für Technische Thermodynamik und Thermische Verfahrenstechnik, U. Stuttgart, 24 November 2006
- Ehrenfeucht-Fraissé-Spiele über Spuren, Institut für
Formale Methoden der Informatik, U. Stuttgart, 14 June 2006
- Spiele und logische Komplexitätsklassen, Seminar Spiele:
Algorithmen und Komplexität, Institut für
Formale Methoden der Informatik, U. Stuttgart, 26 January 2006
2005
2004
2003
Index