Computational Grids for Mid-Sized Collaborative Projects: The eMinerals Experience. - Martin T. Dove; Toby O. H. White; Andrew M. Walker; Richard Paul Bruin; Kat F. Austen; Emilio Artacho; L. A. Sullivan; Mark Calleja; Matthew G. Tucker; Rik P. Tyer; Philip A. Couch; Kerstin Kleese van Dam; et al. (e-Science, 2006)

Information Delivery in Computational Mineral Science: The eMinerals Data Handling System. - Toby O. H. White; Martin T. Dove; Richard Paul Bruin; Kat F. Austen; Andrew M. Walker; Emilio Artacho; Arnaud Marmier; Steve C. Parker; Peter Murray-Rust; Andrew D. Walkingshaw; Philip A. Couch; Rik P. Tyer; et al. (e-Science, 2006)

A DAFT DL_POLY distributed memory adaptation of the Smoothed Particle Mesh Ewald method. - I. J. Bush; Ilian T. Todorov; W. Smith (Comput. Phys. Commun., 2006)

Job submission to grid computing environments. - Richard Paul Bruin; Toby O. H. White; Andrew M. Walker; Kat F. Austen; Martin T. Dove; Rik P. Tyer; Philip A. Couch; Ilian T. Todorov; M. O. Blanchard (Concurr. Comput. Pract. Exp., 2008)

Mapping application performance to HPC architecture. - Alan Gray; Iain Bethune; Richard D. Kenway; Lorna Smith; Martyn F. Guest; Christine A. Kitchen; Paul Calleja; Aleksander Korzynski; Stuart Rankin; Mike Ashworth; Andrew Porter; Ilian T. Todorov; et al. (Comput. Phys. Commun., 2012)

Efficient Domain Decomposition of Dissipative Particle Dynamics via Choice of Pseudorandom Number Generator. - Michael Seaton 001; Ilian T. Todorov; Yaser Afshar (PaCT, 2013)

Rigid Body Molecular Dynamics within the Domain Decomposition Framework of DL_POLY_4. - Ilian T. Todorov; Laurence Ellison; William Smith (PaCT, 2013)

Report on the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3). - Daniel S. Katz; Sou-Cheng T. Choi; Kyle E. Niemeyer; James Hetherington; Frank Löffler 001; Dan Gunter; Ray Idaszak; Steven R. Brandt; Mark A. Miller; Sandra Gesing; Nick D. Jones; Nic Weber; et al. (CoRR, 2016)

Four simple recommendations to encourage best practices in research software. - Rafael C. Jiménez; Mateusz Kuzak; Monther Alhamdoosh; Michelle Barker; Bérénice Batut; Mikael Borg; Salvador Capella-Gutiérrez; Neil P. Chue Hong; Martin Cook; Manuel Corpas; Madison Flannery; Leyla J. García; et al. (F1000Research, 2017)

Software Citation Implementation Challenges. - Daniel S. Katz; Daina Bouquin; Neil P. Chue Hong; Jessica Hausman; Catherine Mary Jones; Daniel Chivvis; Tim Clark; Mercè Crosas; Stephan Druskat; Martin Fenner; Tom Gillespie; Alejandra N. González-Beltrán; et al. (CoRR, 2019)

Semantic interoperability and characterization of data provenance in computational molecular engineering. - Martin Thomas Horsch; Christoph Niethammer; Gianluca Boccardo; Paola Carbone; Silvia Chiacchiera; Mara Chiricotto; Joshua D. Elliott; Vladimir Lobaskin; Philipp Neumann; Matthew Schiffels; Michael Seaton 001; Ilian T. Todorov; et al. (CoRR, 2019)

Pragmatic Interoperability and Translation of Industrial Engineering Problems into Modelling and Simulation Solutions. - Martin Thomas Horsch; Silvia Chiacchiera; Michael A. Seaton; Ilian T. Todorov; Björn Schembera; Peter Klein 001; Natalia A. Konchakova (DAMDID/RCDL (Selected Papers), 2020)

Ontology-based semantic interoperability on the Virtual Materials Marketplace. - Martin Thomas Horsch; Silvia Chiacchiera; Michael A. Seaton; Ilian T. Todorov; Ralf Kunze; Georg Summer; Andreas Fiseni; Barbara Andreon; Andrea Scotto di Minico; Esteban Bayro Kaiser; Gajanan Kanagalingam; Simon Stephan; et al. (ISWC (Demos/Industry), 2020)

Multiscale modelling and simulation of physical systems as semiosis. - Martin Thomas Horsch; Silvia Chiacchiera; Michael A. Seaton; Ilian T. Todorov (CoRR, 2020)

Ontologies for the Virtual Materials Marketplace. - Martin Thomas Horsch; Silvia Chiacchiera; Michael A. Seaton; Ilian T. Todorov; Karel Sindelka; Martin Lísal; Barbara Andreon; Esteban Bayro Kaiser; Gabriele Mogni; Gerhard Goldbeck; Ralf Kunze; Georg Summer; et al. (Künstliche Intell., 2020)

Research Software Sustainability and Citation. - Stephan Druskat; Daniel S. Katz; Ilian T. Todorov (BoKSS@ICSE, 2021)

OSMO: Ontology for Simulation, Modelling, and Optimization. - Martin Thomas Horsch; Daniele Toti; Silvia Chiacchiera; Michael Seaton 001; Gerhard Goldbeck; Ilian T. Todorov (JOWO, 2021)

Multiscale scientific workflows on high-performance hybrid cloud. - Vadim V. Elisseev; Robert Manson-Sawko; Carlos Peña-Monferrer; Guido Lupieri; Michael Seaton 001; Gianluca Boccardo; Jan-Willem Handgraaf; Ilian T. Todorov; Daniele L. Marchisio; Adam Kowalski (CANOPIE-HPC@SC, 2022)

Epistemic Metadata for Computational Engineering Information Systems. - Martin Thomas Horsch; Silvia Chiacchiera; Gabriela Guevara-Carrión; Maximilian Kohns; Erich A. Müller; Denis Saric; Simon Stephan; Ilian T. Todorov; Jadran Vrabec; Björn Schembera (FOIS, 2023)

Exploration of Core Concepts Required for Mid- and Domain-level Ontology Development to Facilitate Explainable-AI-readiness of Data and Models. - Martin Thomas Horsch; Silvia Chiacchiera; Ilian T. Todorov; Ana Teresa Correia 001; Aditya Dey; Natalia A. Konchakova; Sebastian Scholze; Simon Stephan; Kristin Tøndel; Arkopaul Sarkar; Mohamed-Hedi Karray; Fadi Al Machot; et al. (DAO-XAI@ECAI, 2024)

Battery manufacturing knowledge infrastructure requirements for multicriteria optimization based decision support in design of simulation. - Martin Thomas Horsch; Dmytro Romanov; Eirik Valseth; Salim Belouettar; Luis Eduardo Cordova-Lopez; Johanna Glutting; Mathijs A. Janssen; Peter Klein 001; Andreas Linhart; Michael A. Seaton; Elin D. Sødahl; Noel Vizcaino; et al. (SeMatS@SEMANTiCS, 2024)