People

We’re a big group here at BioExcel! Below you can see a list of people working on the project, and a little about their specialist areas. To get in contact with one of us, just send us an email!

Software Scalability & Usability

	Holly Judge, EPCC at The University of Edinburgh
	Berk Hess, Associate Professor, KTH Berk is one of the main developers of the GROMACS molecular simulation package. In BioExcel I work on efficiency and scalability of GROMACS. He is also a member of the PMB. Email Berk ORCID
	Christian Blau, Researcher, KTH Christian Blau is a GROMACS developer with a focus on combining experimental data and simulation. Christian coordiantes in-depth support to BioExcel software. Email Christian
	Emiliano Ippoliti, Research Associate, FZ Jülich Emiliano is involved in the development of the new QM/MM interface for the CPMD code. Email Emiliano ORCID
	Vaibhav Modi, PhD student, University of Jyväskylä Vaibhav Modi works in Gerrit Groenhof’s group on the QM/MM use case focussed on fluorescent proteins. Email Vaibhav
	Dmitry Morozov, Senior Researcher, University of Jyväskylä Dmitry Morozov works in Gerrit Groenhof’s group on the development of the QM/MM interfaces and supports the QM/MM use cases. Email Dmitry
	Markus Rampp, Head of HPC Applications Group, Max Planck Institute Markus is working on benchmarking and platform-specific optimization of Molecular Dynamics applications. Email Markus
	Charlotte van Noort, PhD candidate, Utrecht University Charlotte is working on adding new features to HADDOCK, expending its applicability range. Email Charlotte
	Brian Jimenez Garcia, Postdoctoral fellow, Utrecht University Brian is part of the HADDOCK software development team. With BioExcel 2, Brian is involved in a full refactoring of the code into a modular components. Email Brian ORCID
	Rodrigo Vargas Honorato, Researcher, Utrecht University Rodrigo is part of the HADDOCK software development team. With BioExcel 2, Rodrigo is involved in a full refactoring of the code into a modular components. Email Rodrigo

Portable Environments for Computing and Data Resources

	Adam Hospital, Research Software Engineer, IRB Barcelona Adam is leading the Portable Environments efforts. He is interested in structural bioinformatics, and using High Performance and High Throughput Computing (HPC, HTC) to help on these tasks. Email Adam ORCID
	Pau Andrio, Research Software Engineer, BSC Pau is a Research Software Engineer in the Life Sciences department at the Barcelona Supercomputing Center. Currently he is developing molecular dynamics simulation workflows within the BioExcel project. Email Pau ORCID
	Rosa M. Badia, Team Manager, BSC Rosa is the leader of the PyCOMPSs/COMPSs programming environment. Within BioExcel we help scientists to develop their workflows in PyCOMPSs/COMPSs and give support to the project infrastructure. Email Rosa ORCID
	Ania Niewielska, Lead software engineer, EMBL-EBI Ania is leading the development of the BioExcel portal. Email Ania
	Felix Amaladoss, Full Stack Software Engineer, EMBL-EBI Felix is working on the development of the BioExcel portal. Email Felix
	Josep Ll. Gelpí, Team Leader in Life Sciences, BSC Josep is co-responsible for BSC’s participation in several tasks relating to optimising workflows. He is also a member of the BioExcel PMB. Email Josep ORCID
	Daniele Lezzi, Senior Researcher, BSC Daniele is a member of the workflows and distributed computing team at BSC. He is working on optimising applications using the COMPSs framework to deploy the workflows on the computational infrastructure. Email Daniele ORCID
	Javier Conejero, Senior Researcher, BSC Javier is a member of the workflows and distributed computing team at BSC. He is heading the development of PyCOMPSs and providing support for workflow developers. Email Javier ORCID
	Ezequiel Mas del Molino, Senior Research Project Manager, BSC With a PhD in Biomedicine, Ezequiel is in charge of the whole life cycle of the projects in the Life Science department. Email Ezequiel ORCID

Consultancy & Community Support

	Arno Proeme, Project Manager, EPCC Arno is the leader of the Consultancy and User Groups Effort in BioExcel. He is focusing on building active communities in each of the core user groups. Email Arno
	Bert de Groot, Group Leader, Max Planck Institute Bert is a free energy calculation expert and pmx developer. His aim within Bioexcel is to extend the scope of free energy calculations and to make them available to non-experts in the life sciences. Email Bert
	Ian Harrow, Principal Consultant, Ian Harrow Consulting Ian is a consultant providing project management, expert bioinformatics and text mining services to industry in the Life Sciences. Expert participation in pre-competitive research collaborations such as Pistoia Alliance projects. Email Ian ORCID
	Stian Soiland-Reyes, Technical Architect, The University of Manchester Stian focus on workflows, reproducibility, containerisation and community building; he is one of the developers of the workflow system Apache Taverna and collaborate with the Common Workflow Language project and the pharmacological data warehouse Open PHACTS. He is a member of the BioExcel Project Management Board. Email Stian ORCID
	Richard Norman, Managing Director, Norman Consulting Richard is a consultant with expertise in project management, innovation, drug discovery and structural biology. His focus is on understanding the needs of industrial and academic users and stakeholders of BioExcel, and ensuring continued operation of the BioExcel CoE beyond the current funding period. He is a member of the Executive Board and the Project Management Board of BioExcel. Email Richard

Dissemination and Training

	Vera Matser, Senior Scientific Project Manager, EMBL-EBI Vera is the leader of the dissemination and training activities in BioExcel. She is a Senior Scientific Project Manager at EMBL-EBI and coordinates the development of the BioExcel Training Programme. She is a member of the Executive Board of BioExcel. Email Vera ORCID
	Cath Brooksbank, Head of Training, EMBL-EBI Cath is Head of the EMBL-EBI Training Programme, coordinating a wide-ranging portfolio of training and scientific outreach activities reaching tens of thousands of individuals each year. She contributes to a number of pan-European projects including RItrain, CORBEL, ENLIGHT_TEN, and BioExcel. Email Cath ORCID
	Michelle Mendonca, Scientific Project Officer, EMBL-EBI Michelle is working on building awareness of BioExcel through a variety of channels such as online and print media. She makes sure that project information is presented in a clear and helpful manner. Email Michelle
	Eva Alloza, Training and Support Officer, BSC Eva is involved in BioExcel dissemination and training activities at BSC. Email Eva ORCID
	Marta Lloret Llinares, Scientific Training Officer, EMBL-EBI Marta is working on the BioExcel training programme, where she will develop a series of online courses. Email Marta ORCID

Management

	Rossen Apostolov, BioExcel Manager, KTH Rossen is a researcher at PDC Center for High Performance Computing at KTH Royal Institute of Technology and is leading the operational activities in the center as BioExcel Manager. Email Rossen ORCID
	Erwin Laure, BioExcel Coordinator, KTH Erwin is a Professor in High Performance Computing and Director of PDC – Center for High Performance Computing at KTH – Royal Institute of Technology. He is the coordinator of the BioExcel CoE. Email Erwin ORCID
	Sarah Butcher, Software development and operations team leader, EMBL-EBI Sarah is the PI of the EMBL-EBI partner in BioExcel and members of her team are working on the BioExcel portal. She is also a member of the Project management board. Email Sarah ORCID
	Erik Lindahl, BioExcel lead scientist, Stockholm University & KTH Erik Lindahl is professor of Biophysics at the Science for Life Laboratory in Stockholm. In addition to leading the development of GROMACS, Lindahl co-directs the Swedish e-Science Research Center, he serves as chair of the PRACE Scientific Steering Committee, and he is the lead scientist of the BioExcel Center of Excellence Email Erik
	Mark Parsons, Director, EPCC Mark is the leader of EPCC’s effort in BioExcel and a member of the Project Management Board. Email Mark
	Carole Goble, Professor, The University of Manchester Carole is the leader of the eScience lab in the School of Computer Science at The University of Manchester. She leads Manchester’s effort in BioExcel, ELIXIR-UK, The Software Sustainability Institute UK, Infrastructure for Systems Biology Europe (ISBE), and is a Council representative for BBSRC. Email Carole ORCID
	Gerrit Groenhof, Professor, University of Jyväskylä Gerrit Groenhof is the PI of the JYU partner in BioExcel-2 and coordinates the QM/MM efforts. Email Gerrit
	Alexandre Bonvin, Professor of Computational Structural Biology, Utrecht University Alexandre is the PI of the Utrecht partner in BioExcel and developer of the HADDOCK software. He is also a member of the Project management board. Email Alexandre ORCID

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