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
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Holly Judge, EPCC at The University of Edinburgh |
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Berk Hess, Associate Professor, KTHBerk 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. |
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Christian Blau, Researcher, KTHChristian Blau is a GROMACS developer with a focus on combining experimental data and simulation. Christian coordiantes in-depth support to BioExcel software. |
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Emiliano Ippoliti, Research Associate, FZ JülichEmiliano is involved in the development of the new QM/MM interface for the CPMD code. |
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Vaibhav Modi, PhD student, University of JyväskyläVaibhav Modi works in Gerrit Groenhof’s group on the QM/MM use case focussed on fluorescent proteins. |
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Dmitry Morozov, Senior Researcher, University of JyväskyläDmitry Morozov works in Gerrit Groenhof’s group on the development of the QM/MM interfaces and supports the QM/MM use cases. |
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Markus Rampp, Head of HPC Applications Group, Max Planck InstituteMarkus is working on benchmarking and platform-specific optimization of Molecular Dynamics applications. |
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Charlotte van Noort, PhD candidate, Utrecht UniversityCharlotte is working on adding new features to HADDOCK, expending its applicability range. |
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Brian Jimenez Garcia, Postdoctoral fellow, Utrecht UniversityBrian 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. |
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Rodrigo Vargas Honorato, Researcher, Utrecht UniversityRodrigo 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. |
Portable Environments for Computing and Data Resources
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Adam Hospital, Research Software Engineer, IRB BarcelonaAdam 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. |
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Pau Andrio, Research Software Engineer, BSCPau 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. |
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Rosa M. Badia, Team Manager, BSCRosa 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. |
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Ania Niewielska, Lead software engineer, EMBL-EBIAnia is leading the development of the BioExcel portal. |
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Felix Amaladoss, Full Stack Software Engineer, EMBL-EBIFelix is working on the development of the BioExcel portal. |
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Josep Ll. Gelpí, Team Leader in Life Sciences, BSCJosep is co-responsible for BSC’s participation in several tasks relating to optimising workflows. He is also a member of the BioExcel PMB. |
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Daniele Lezzi, Senior Researcher, BSCDaniele 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. |
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Javier Conejero, Senior Researcher, BSCJavier 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. |
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Ezequiel Mas del Molino, Senior Research Project Manager, BSCWith a PhD in Biomedicine, Ezequiel is in charge of the whole life cycle of the projects in the Life Science department. |
Consultancy & Community Support
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Arno Proeme, Project Manager, EPCCArno 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. |
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Bert de Groot, Group Leader, Max Planck InstituteBert 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. |
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Ian Harrow, Principal Consultant, Ian Harrow ConsultingIan 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. |
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Stian Soiland-Reyes, Technical Architect, The University of ManchesterStian 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. |
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Richard Norman, Managing Director, Norman ConsultingRichard 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. |
Dissemination and Training
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Vera Matser, Senior Scientific Project Manager, EMBL-EBIVera 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. |
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Cath Brooksbank, Head of Training, EMBL-EBICath 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. |
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Michelle Mendonca, Scientific Project Officer, EMBL-EBIMichelle 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. |
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Eva Alloza, Training and Support Officer, BSCEva is involved in BioExcel dissemination and training activities at BSC. |
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Marta Lloret Llinares, Scientific Training Officer, EMBL-EBIMarta is working on the BioExcel training programme, where she will develop a series of online courses. |
Management
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Rossen Apostolov, BioExcel Manager, KTHRossen 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. |
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Erwin Laure, BioExcel Coordinator, KTHErwin 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. |
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Sarah Butcher, Software development and operations team leader, EMBL-EBISarah 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. |
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Erik Lindahl, BioExcel lead scientist, Stockholm University & KTHErik 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 |
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Mark Parsons, Director, EPCCMark is the leader of EPCC’s effort in BioExcel and a member of the Project Management Board. |
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Carole Goble, Professor, The University of ManchesterCarole 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. |
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Gerrit Groenhof, Professor, University of JyväskyläGerrit Groenhof is the PI of the JYU partner in BioExcel-2 and coordinates the QM/MM efforts. |
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Alexandre Bonvin, Professor of Computational Structural Biology, Utrecht UniversityAlexandre 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. |