Dr. Daan Geerke is an Associate Professor at the Faculty of Science, Vrije Universiteit Amsterdam, with dual appointments in Chemistry & Pharmaceutical Sciences and AIMMS. His research focuses on computational approaches to predict drug metabolism, enzyme flexibility modeling, and biomolecular simulation tool development. He leads a team including senior scientists and PhD students, and teaches courses in computational chemistry, molecular modeling, and structural biology. Education: PhD in Physical Chemistry (ETH Zurich, 2007), postdoctoral fellowship at IBM Almaden Research Center (2007–2009). Academic appointments include Assistant Professor (2009–2017) and current Associate Professor roles. He has secured significant grants including NWO-Veni (2009), NWO-Vidi (2013), and eScience funding (2015). His work contributes to UN SDG 3 (Good Health) through drug discovery innovations. Research interests integrate computational and experimental approaches to study Cytochrome P450 enzymes, proteases, and methyltransferases. Recent publications address venom inhibitor design, blood coagulation factor engineering, and J-DNA binding mechanisms. He collaborates with medical centers and industry on translational projects. Grants include HPC allocations from VU's High Performance Computing Council and leadership in EU's eTOX project. His lab develops tools like OFraMP for molecular simulations, advancing drug discovery workflows.
Prof. Alexandru Iosup is a Full Professor at Vrije Universiteit Amsterdam, affiliated with the Faculty of Science (Department of Computer Systems), Network Institute, and Massivizing Computer Systems. He specializes in distributed systems, cloud computing, and performance engineering. His work focuses on benchmarking, serverless computing, and sustainable data center operations. Academic Roles: Full Professor in Computer Systems, Network Institute, and Massivizing Computer Systems. Research Interests: Cloud computing, serverless systems, data center risk analysis, and large-scale graph processing. His research spans 197 publications, emphasizing empirical studies of cloud services, data center management frameworks (e.g., RADiCe, FAILS), and sustainability in computing. Notable achievements include the Royal Dutch Young Academy induction (2016) and Netherlands ICT Research Award (2016). Current projects include leading the Extreme and Sustainable Graph Processing initiative, aiming to address societal challenges through scalable graph analytics. He teaches courses like Honours Research Projects and Distributed Systems.
Ravindra Laxman Shinde is a Researcher in Computational Chemical Physics at the MESA+ Institute, University of Twente. His work focuses on quantum Monte Carlo methods, exascale quantum simulations, and high-performance software development for accurate electronic structure calculations. Research Interests: Quantum Monte Carlo (QMC) Machine-Learned Force Fields Exascale Computing Electronic Structure Theory Scientific Software (CHAMP, AiiDA) Reproducibility in Computational Physics His recent publications highlight a strong trend in developing robust, scalable software solutions for quantum mechanical simulations, particularly in navigating hardware-software challenges at the exascale. His work bridges theoretical physics, computational chemistry, and computer science, with a focus on practical implementation and data integrity. Scientific Awards: FAIR data fund 4TU 2024 Advising and Grants: While specific students are not listed, Shinde is deeply involved in large-scale collaborative research projects such as TREX and NWO CHAINS, indicating leadership in grant-funded, team-based scientific computing initiatives. His role in creating software and datasets suggests mentorship in computational methods and data practices. Labs and Teams: He is a key contributor to the TREX project and the development of the CHAMP software suite, working within interdisciplinary teams focused on advancing quantum simulation capabilities at the exascale.
Prof. Dr. Saša Kenjereš is a Full Professor in the Department of Chemical Engineering at the Delft University of Technology , Faculty of Applied Sciences, Netherlands. He leads a multidisciplinary research group focusing on transport phenomena in biomedical, environmental, and energy systems. His work integrates computational modeling, high-performance computing, and experimental validation, with strong collaborations with medical centers (e.g., EMC Rotterdam, LUMC Leiden) and international universities (ETH Zurich, Harvard, AGH Krakow). Education and Academic Background: Ph.D. in Applied Physics, Delft University of Technology (1999) Research Fellow, Royal Netherlands Academy of Arts and Sciences (KNAW, 2001–2005) Burgers Visiting Associate Professor, University of Maryland, USA (2005–2006) Marie-Curie Visiting Professor, AGH University, Poland (2007–2013) Visiting Professor, Shibaura Institute of Technology & AGH University (2022–present) Research Interests: Prof. Kenjereš specializes in multiscale transport phenomena , combining fluid dynamics , heat and mass transfer , turbulence , and magnetohydrodynamics (MHD) with applications in biomedical engineering (e.g., blood flow, drug delivery), environmental flows , and high-performance computing (HPC) . His lab uses advanced techniques like PIV and MRI to simulate patient-specific cardiovascular and respiratory systems. Publication Trends: His recent publications reflect a strong focus on biomedical fluid dynamics , particularly patient-specific CFD simulations of blood and air flows, magnetic drug targeting , and atherosclerosis modeling . The integration of experimental validation with computational models is a recurring theme, emphasizing translational research from engineering to clinical applications. Scientific Awards and Honors: Research Fellow, KNAW (2001–2005) Burgers Visiting Associate Professor, University of Maryland ERCOFTAC & Leonhard Euler Centre Fellowships (ETH Zurich) Marie-Curie Visiting Professor Current Visiting Professor in Japan-Poland MSc program Advising and Grants: Prof. Kenjereš has supervised over 20 PhD students , 15 postdocs , and more than 200 MSc/BSc students across Applied Physics, Chemical Engineering, and Mechanical Engineering. His research is supported by strategic collaborations with medical institutions and international universities, indicating strong grant funding and interdisciplinary project leadership. He teaches core courses such as Continuum Physics and Advanced Physical Transport Phenomena . Laboratories and Research Groups: The Kenjereš Lab is a hub for computational and experimental fluid dynamics , focusing on biomedical transport phenomena . The lab emphasizes patient-specific modeling , magnetic drug targeting , and high-fidelity simulations using HPC. It maintains close ties with medical imaging centers and employs advanced PIV and MRI techniques for experimental validation.
Dr. Adam Belloum is affiliated with the Informatics Institute within the Faculty of Science at the University of Amsterdam . His research focuses on distributed systems, high-performance computing, big data, and eScience, with a strong emphasis on scientific workflow management and data science education. He has delivered numerous invited talks across Europe, the Middle East, and Asia, covering topics such as the evolution of distributed systems, AI development, and challenges in STEM education. His work bridges academic research with practical applications in HPC, cloud computing, and training data scientists for industry. He has co-organized international workshops like eScience2019, HPCS15, and SWES06-09, and contributed to special issues on workflow management systems in journals like Future Generation Computer Systems and Journal of Scientific Programming .
