Card Overview

Yan Vogel

Yan Vogel I was raised from immigrant family in the countryside of the southmost part of Spain. In 2009 I moved to the city to pursue my universities studies, and graduated from the University of Seville, Spain, with a B.S. in chemistry and a M.S. in electrochemistry (2014, advisors Manuela Rueda and Francisco Prieto). In 2015 I moved to Australia to start my PhD studies under the guidance of Simone Ciampi at the University of Wollongong. The year after we relocated to Curtin University, graduating in 2020 (top 1%). After completing my PhD, I worked for one year as a postdoc in Ciampi’s group. In 2021 I joined the NCfun group here at Delft University as a postdoc with a fellowship (Postdoc.Mobility) from the Swiss National Science Foundation to study electron transfers within quantum dot-molecule complexes. My research background focuses on the study of electron transfers at interfaces, processes ubiquitous in nature and industry. For example, I studied proton-coupled electron transfers, essential steps of the respiratory chain that keep us alive. During my PhD I developed a new concept to localise chemical reactivity by inducing electron transfers at the semiconductor/liquid interface with the use of a focused light beam. I also ventured into the field of triboelectrochemistry, electron transfers at insulating interfaces such that of liquids with plastics, oils and gases, which are still rather unknown but might have wide implications to our understanding of environmental chemistry, chemical catalysis, and industrial hazards. A list of my works can be found here: https://scholar.google.com/citations?user=70ZqMPsAAAAJ&hl=en During my spare time I like to read about science and philosophy. I also love cycling so I think Netherlands will be a nice place for me. I find cooking enjoyable and entertaining, sometimes as much as eating. Finally, I try to put my grain of sand in making a better world outside science; specifically, I am active in social movements that aim for greater freedom and democracy for everyone. Yan Vogel Y.B.Vogel@tudelft.nl Van der Maasweg 9 2629HZ Delft Roomnumber: D1.143

Programming on the GPU with CUDA

Planned courses Nowadays the Graphics Processing Unit (GPU) is a mainstream hardware component in high-performance computing. For affordable budgets anyone can harness supercomputer performance. However, realizing efficient parallelism combines three knowledge areas: firstly, on the architecture and compute capabilities of the GPUs; then, on special constructs for programming a GPU-equipped computer; finally, on the special algorithms for performing logical and mathematical operations in parallel. What is CUDA? CUDA stands for Compute Unified Device Architecture. It is a software-development tool kit for programming on the GPUs maintained by the mainstream manufacturer Nvidia. CUDA provides language extensions for C, C++, FORTRAN, and Python as well as knowledge-specific libraries. A single source code is then able to instruct the CPU and GPU alike. Also, CUDA-extended codes keep pace closely with the rapid developments in the underlying technology. Goals and prerequisites To guide you in this development niche, the Delft Institute for Computational Science and Engineering (DCSE) offers a CUDA course every quarter. We will explain basic principles and advanced topics on GPU programming with CUDA. You will apply these notions in our labroom with hands-on examples. After this course you will be able to get simple CUDA programs running on a GPU-equipped computer. As prerequisite, a rudimentary understanding of programming languages like C++ or Java is ideal; that of Fortran or Python will be helpful too. Some interest in linear algebra and iterative solvers is a little advantage. Programme Day 1 Day 2 HPC variant 09:15 - 09:30 Arrival with coffee and tea 09:30 - 10:30 Parallel computing on GPU’s Prof.dr.ir. C. Vuik 10:45 - 11:30 GPU’s design and architecture Ir. C.W.J. Lemmens 11:45 - 12:30 Lab 1: CUDA introduction Ir. C.W.J. Lemmens 12:45 - 13:30 Lunch 13:30 - 14:45 Lab 2: Using CuBlas, CuFFT Ir. C.W.J. Lemmens 15:00 - 17:00 Lab 3: Debugging and Profiling Ir. C.W.J. Lemmens 09:15 - 09:30 Arrival with coffee and tea 09:30 - 10:30 Lab 4: Shared memory, streams, atomics, Ir. C.W.J. Lemmens 10:45 - 12:30 Lab 5: Optimising code: Innerproduct , Ir. C.W.J. Lemmens 12:45 - 13:30 Lunch 13:30 - 14:30 Lab 6: Parallel solvers on GPU's, Dr. Matthias Möller 14:45 - 16:30 Lab 7: Solvers on GPU, Dr. Matthias Möller 16:30 - 17:00 Lab 8: Solvers on GPU (continued) Dr. Matthias Möller Two day course 25 max. participants Teachers: C. Vuik C.W.J. Lemmens M. Möller Costs: €200,- / 1 day €350,- / 2 days TU Delft staff: €50,- / day €100,- / 2 days Free for DCSE members including lunch and course materials Location: Penguinlab, EWI B36.HB.2.130 More information C.W.J. Lemmens +31 15 27 87224 C.W.J.Lemmens@tudelft.nl Administrative details Frederieke Brands f.brands@tudelft.nl

News

March 2019 You can read our latest paper , the first review on rotational dynamics of linkers in metal-organic frameworks in Nanomaterials . A closer look on this phenomenon reveals that rotational mobility in MOFs is a widespread phenomenon with clear consequences for adsorption and separation of molecules, as well as for optical and mechanical properties. 4th of December 2018 Monique van der Veen is awarded the NWO Athena Prize at Chains 2018 September 2018 A new group of Bachelor, Master and Exchange Students joined our group. Welcome Quentin, Leonid, Maria and Chaitanya! 24th of August 2018 Our paper on a new method to probe dynamic processes of materials in solution got published in Nature Communications. We developed the method together with our collaborators at the University of Leuven. The method allows for fast acquisition times of nonlinear scattered light at multiple scattering angles and polarisation combinations. This is achieved through Fourier imaging. This allows us to follow the crystal growth of the metal organic framework ZIF-8 in solution. The angle dependence of the signal provides insight into the growth mechanism by probing the evolution of size, shape and concentration, while polarization analysis yields structural infor- mation in terms of point group symmetry. Our findings highlight the potential of dynamic angle-resolved harmonic light scattering to probe crystal growth processes, assembly–disassembly of biological systems, adsorption, transport through membranes and myriad other applications. Nature Communications 2018(9): 3418 August 2018 Max Bailey defended his Honours Project successfully. Congratulations, Max! 9th of July 2018 Srinidhi Mula joined the group as a PhD student. She'll be modelling the piezo- and ferroelectric properties of metal-organic frameworks. 6th of July 2018 The previous two weeks, the group's bachelor students defended their bachelor thesis successfully! Emma Bos: The mechanism and structure of Cobalt caged in metal-organic frameworks for photocatalytic Hydrogen Evolution Ruben Hortensius: Synthesis of polystyrene in NO2-MIL-125 and a study of its dynamics Cees Breevaart: Reliable measurement and comparison of photocatalytic activity. Well done! 1rst of May 2018 Davide Rega and Max Bailey joined the group as PhD students and Honours Master student respectively. Welcome Davide and Max! 12-19th of April 2018 The group is doing experiments at the Swiss Light Source (synchrotron facility). Group picture At the Schnitzeria 1rst of March 2018 Stefano Canossa joined the group as a postdoc. He'll study the synthesis and structure of metal-organic frameworks.

Research

Metal-organic frameworks for memories and mechanical energy harvesting A ferroelectric is a polar material of which the polarization direction can be switched by an electrical field. These materials can be used as non-volatile memories, and as harvesters of mechanical energy. The goal of our research is to rationally design ferroelectric metal-organic frameworks. We envision their use in a diverse range of physically flexible electronics. Crystallisation In our development of materials, also the macroscopic shape of the crystalline materials is vital. For accurate characterisation of the structure we need large single crystals, for their applications in electronics patterned thin films are generally needed. Therefore we devote significant effort into growing our materials in these shapes. Photocatalytic metal-organic frameworks Solar energy is the most abundant form of sustainable energy that can replace fossil fuels. Yet synthesizing chemical fuels photocatalytically, needs to improve greatly in efficiency. To achieve a high overall efficiency ,the transfer of the photogenerated charges between each of the different components of the photocatalyst should be efficient. The versatility of metal-organic frameworks form an excellent platform to unravel the mechanisms governing charge transfer. Spectroscopy and Computational Modelling The goal of our research is to obtain detailed insight in the structure/properties relationships of our materials, so we can use this knowledge to guide the synthesis of new and better materials. We use a variety of techniques to obtain inside into their structure under the influence of light and electrical fields, pump-probe spectroscopy to probe dynamics on the ultrafast time scale, as well as computational screening and DFT calculations of materials. Funding

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Yan Vogel

Yan Vogel I was raised from immigrant family in the countryside of the southmost part of Spain. In 2009 I moved to the city to pursue my universities studies, and graduated from the University of Seville, Spain, with a B.S. in chemistry and a M.S. in electrochemistry (2014, advisors Manuela Rueda and Francisco Prieto). In 2015 I moved to Australia to start my PhD studies under the guidance of Simone Ciampi at the University of Wollongong. The year after we relocated to Curtin University, graduating in 2020 (top 1%). After completing my PhD, I worked for one year as a postdoc in Ciampi’s group. In 2021 I joined the NCfun group here at Delft University as a postdoc with a fellowship (Postdoc.Mobility) from the Swiss National Science Foundation to study electron transfers within quantum dot-molecule complexes. My research background focuses on the study of electron transfers at interfaces, processes ubiquitous in nature and industry. For example, I studied proton-coupled electron transfers, essential steps of the respiratory chain that keep us alive. During my PhD I developed a new concept to localise chemical reactivity by inducing electron transfers at the semiconductor/liquid interface with the use of a focused light beam. I also ventured into the field of triboelectrochemistry, electron transfers at insulating interfaces such that of liquids with plastics, oils and gases, which are still rather unknown but might have wide implications to our understanding of environmental chemistry, chemical catalysis, and industrial hazards. A list of my works can be found here: https://scholar.google.com/citations?user=70ZqMPsAAAAJ&hl=en During my spare time I like to read about science and philosophy. I also love cycling so I think Netherlands will be a nice place for me. I find cooking enjoyable and entertaining, sometimes as much as eating. Finally, I try to put my grain of sand in making a better world outside science; specifically, I am active in social movements that aim for greater freedom and democracy for everyone. Yan Vogel Y.B.Vogel@tudelft.nl Van der Maasweg 9 2629HZ Delft Roomnumber: D1.143

Programming on the GPU with CUDA

Planned courses Nowadays the Graphics Processing Unit (GPU) is a mainstream hardware component in high-performance computing. For affordable budgets anyone can harness supercomputer performance. However, realizing efficient parallelism combines three knowledge areas: firstly, on the architecture and compute capabilities of the GPUs; then, on special constructs for programming a GPU-equipped computer; finally, on the special algorithms for performing logical and mathematical operations in parallel. What is CUDA? CUDA stands for Compute Unified Device Architecture. It is a software-development tool kit for programming on the GPUs maintained by the mainstream manufacturer Nvidia. CUDA provides language extensions for C, C++, FORTRAN, and Python as well as knowledge-specific libraries. A single source code is then able to instruct the CPU and GPU alike. Also, CUDA-extended codes keep pace closely with the rapid developments in the underlying technology. Goals and prerequisites To guide you in this development niche, the Delft Institute for Computational Science and Engineering (DCSE) offers a CUDA course every quarter. We will explain basic principles and advanced topics on GPU programming with CUDA. You will apply these notions in our labroom with hands-on examples. After this course you will be able to get simple CUDA programs running on a GPU-equipped computer. As prerequisite, a rudimentary understanding of programming languages like C++ or Java is ideal; that of Fortran or Python will be helpful too. Some interest in linear algebra and iterative solvers is a little advantage. Programme Day 1 Day 2 HPC variant 09:15 - 09:30 Arrival with coffee and tea 09:30 - 10:30 Parallel computing on GPU’s Prof.dr.ir. C. Vuik 10:45 - 11:30 GPU’s design and architecture Ir. C.W.J. Lemmens 11:45 - 12:30 Lab 1: CUDA introduction Ir. C.W.J. Lemmens 12:45 - 13:30 Lunch 13:30 - 14:45 Lab 2: Using CuBlas, CuFFT Ir. C.W.J. Lemmens 15:00 - 17:00 Lab 3: Debugging and Profiling Ir. C.W.J. Lemmens 09:15 - 09:30 Arrival with coffee and tea 09:30 - 10:30 Lab 4: Shared memory, streams, atomics, Ir. C.W.J. Lemmens 10:45 - 12:30 Lab 5: Optimising code: Innerproduct , Ir. C.W.J. Lemmens 12:45 - 13:30 Lunch 13:30 - 14:30 Lab 6: Parallel solvers on GPU's, Dr. Matthias Möller 14:45 - 16:30 Lab 7: Solvers on GPU, Dr. Matthias Möller 16:30 - 17:00 Lab 8: Solvers on GPU (continued) Dr. Matthias Möller Two day course 25 max. participants Teachers: C. Vuik C.W.J. Lemmens M. Möller Costs: €200,- / 1 day €350,- / 2 days TU Delft staff: €50,- / day €100,- / 2 days Free for DCSE members including lunch and course materials Location: Penguinlab, EWI B36.HB.2.130 More information C.W.J. Lemmens +31 15 27 87224 C.W.J.Lemmens@tudelft.nl Administrative details Frederieke Brands f.brands@tudelft.nl

News

March 2019 You can read our latest paper , the first review on rotational dynamics of linkers in metal-organic frameworks in Nanomaterials . A closer look on this phenomenon reveals that rotational mobility in MOFs is a widespread phenomenon with clear consequences for adsorption and separation of molecules, as well as for optical and mechanical properties. 4th of December 2018 Monique van der Veen is awarded the NWO Athena Prize at Chains 2018 September 2018 A new group of Bachelor, Master and Exchange Students joined our group. Welcome Quentin, Leonid, Maria and Chaitanya! 24th of August 2018 Our paper on a new method to probe dynamic processes of materials in solution got published in Nature Communications. We developed the method together with our collaborators at the University of Leuven. The method allows for fast acquisition times of nonlinear scattered light at multiple scattering angles and polarisation combinations. This is achieved through Fourier imaging. This allows us to follow the crystal growth of the metal organic framework ZIF-8 in solution. The angle dependence of the signal provides insight into the growth mechanism by probing the evolution of size, shape and concentration, while polarization analysis yields structural infor- mation in terms of point group symmetry. Our findings highlight the potential of dynamic angle-resolved harmonic light scattering to probe crystal growth processes, assembly–disassembly of biological systems, adsorption, transport through membranes and myriad other applications. Nature Communications 2018(9): 3418 August 2018 Max Bailey defended his Honours Project successfully. Congratulations, Max! 9th of July 2018 Srinidhi Mula joined the group as a PhD student. She'll be modelling the piezo- and ferroelectric properties of metal-organic frameworks. 6th of July 2018 The previous two weeks, the group's bachelor students defended their bachelor thesis successfully! Emma Bos: The mechanism and structure of Cobalt caged in metal-organic frameworks for photocatalytic Hydrogen Evolution Ruben Hortensius: Synthesis of polystyrene in NO2-MIL-125 and a study of its dynamics Cees Breevaart: Reliable measurement and comparison of photocatalytic activity. Well done! 1rst of May 2018 Davide Rega and Max Bailey joined the group as PhD students and Honours Master student respectively. Welcome Davide and Max! 12-19th of April 2018 The group is doing experiments at the Swiss Light Source (synchrotron facility). Group picture At the Schnitzeria 1rst of March 2018 Stefano Canossa joined the group as a postdoc. He'll study the synthesis and structure of metal-organic frameworks.

Research

Metal-organic frameworks for memories and mechanical energy harvesting A ferroelectric is a polar material of which the polarization direction can be switched by an electrical field. These materials can be used as non-volatile memories, and as harvesters of mechanical energy. The goal of our research is to rationally design ferroelectric metal-organic frameworks. We envision their use in a diverse range of physically flexible electronics. Crystallisation In our development of materials, also the macroscopic shape of the crystalline materials is vital. For accurate characterisation of the structure we need large single crystals, for their applications in electronics patterned thin films are generally needed. Therefore we devote significant effort into growing our materials in these shapes. Photocatalytic metal-organic frameworks Solar energy is the most abundant form of sustainable energy that can replace fossil fuels. Yet synthesizing chemical fuels photocatalytically, needs to improve greatly in efficiency. To achieve a high overall efficiency ,the transfer of the photogenerated charges between each of the different components of the photocatalyst should be efficient. The versatility of metal-organic frameworks form an excellent platform to unravel the mechanisms governing charge transfer. Spectroscopy and Computational Modelling The goal of our research is to obtain detailed insight in the structure/properties relationships of our materials, so we can use this knowledge to guide the synthesis of new and better materials. We use a variety of techniques to obtain inside into their structure under the influence of light and electrical fields, pump-probe spectroscopy to probe dynamics on the ultrafast time scale, as well as computational screening and DFT calculations of materials. Funding
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Students Amos Yusuf, Mick Dam & Bas Brouwer winners of Mekel Prize 2024

Master students Amos Yusuf, from the ME faculty (Mick Dam, from the EEMCS faculty and graduate Bas Brouwer have won the Mekel Prize 2024 for the best extra scientific activity at TU Delft: the development of an initiative that brings master students into the classroom teaching sciences to the younger generations. The prize was ceremonially awarded by prof Tim van den Hagen on 13 November after the Van Hasselt Lecture at the Prinsenhof, Delft. They received a statue of Professor Jan Mekel and 1.500,- to spend on their project. Insights into climate change are being openly doubted. Funding for important educational efforts and research are being withdrawn. Short clips – so called “reels” – on Youtube and TikTok threaten to simplify complex political and social problems. AI fakes befuddle what is true and what is not. The voices of science that contribute to those discussion with modesty, careful argument and scepticism, are drowned in noise. This poses a threat for universities like TU Delft, who strive to increase student numbers, who benefit from diverse student populations and aim to pass on their knowledge and scientific virtues to the next generation. It is, therefore, alarming that student enrolments to Bachelor and Master Programs at TU Delft have declined in the past year. Students in front of the class The project is aimed to make the sciences more appealing to the next generation. They have identified the problem that students tend miss out on the opportunity of entering a higher education trajectory in the Beta sciences – because they have a wrong picture of such education. In their mind, they depict it as boring and dry. In his pilot lecture at the Stanislas VMBO in Delft, Amos Yusuf has successfully challenged this image. He shared his enthusiasm for the field of robotics and presented himself as a positive role model to the pupils. And in return the excitement of the high school students is palpable in the videos and pictures from the day. The spark of science fills their eyes. Bas Brouwer Mick Dam are the founders of NUVO – the platform that facilitates the engagement of Master Students in high school education in Delft Their efforts offer TU Delft Master Students a valuable learning moment: By sharing insights from their fields with pupils at high school in an educational setting, our students can find identify their own misunderstandings of their subject, learn to speak in front of non-scientific audiences and peak into education as a work field they themselves might not have considered. An extraordinary commitment According to the Mekel jury, the project scored well on all the criteria (risk mitigation, inclusiveness, transparency and societal relevance). However, it was the extraordinary commitment of Amos who was fully immersed during his Master Project and the efforts of Brouwer and Dam that brought together teaching and research which is integral to academic culture that made the project stand out. About the Mekel Prize The Mekel Prize will be awarded to the most socially responsible research project or extra-scientific activity (e.g. founding of an NGO or organization, an initiative or realization of an event or other impactful project) by an employee or group of employees of TU Delft – projects that showcase in an outstanding fashion that they have been committed from the beginning to relevant moral and societal values and have been aware of and tried to mitigate as much as possible in innovative ways the risks involved in their research. The award recognizes such efforts and wants to encourage the responsible development of science and technology at TU Delft in the future. For furthermore information About the project: https://www.de-nuvo.nl/video-robotica-pilot/ About the Mekel Prize: https://www.tudelft.nl/en/tpm/our-faculty/departments/values-technology-and-innovation/sections/ethics-philosophy-of-technology/mekel-prize

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