Title Promoter Affiliations Abstract "Development and application of reactivity force field for multiscale study of nanomaterials based on boron element." "Minh Nguyen" "Quantum Chemistry and Physical Chemistry" "Although molecular dynamics simulations are important techniques in theoretical studies of materials, no reliable force fields are actually available for treatment of the clusters of the elements. Our main objective is therefore to develop a set of highly accurate reactivity force fields and to apply them to multiscale studies of nanomaterials based on boron. The nanomaterials considered include medium and large-size atomic clusters and bulk-materials such as nanotubes, boron sheets and cage-formed fullerenes. To improve the fundamental physicochemical properties and applicability of these materials, impurities such as alkali and 3dtransition metals will be introduced into host materials. The doped materials having high stability will further be studied for applications in sequestration of CO2, capture and storage of small industrial gases and catalysts for chemical reactions. To achieve these purposes, three specific objectives can be elaborated as follows. The first objective of the project is to generate sets of parameters of reference structures by using highly accurate quantum chemical calculations. The second goal is to subsequently develop reactivity force fields (ReaxFF) derived from the QC calculations. The final goal of this project is to study the boron-based nanomaterials having specific chemical, optoelectronic properties… by using multi-scale simulation methods. The effects of alkali and 3d-transition metals to geometrical, electronic, magnetic, stability of impure boron clusters (BnM) containing up to hundreds atoms will be systematically investigated. We will provide elements of answer to the question of how the impurities affect the physicochemical properties, and the use of the resulting mixed clusters and coated bulk-materials in different technological applications." "Search for a light Brout-Englert-Higgs boson using the matrix element method." "Nick Van Remortel" "Particle Physics Group" "The search for a scalar Higgs particle is one of the main goals of the physics program of the Large Hadron Collider at CERN. Using the data collected by the Compact Muon Solenoid (CMS) experiment we plan to implement and validate a matrix element technique to search for a light neutral scalar Higgs boson. Matrix element techniques incorporate the maximum theoretical knowledge about signal and background processes in order to infer a physical quantity from data. This method will extend the sensitivity of cut-based and multivariate analysis techniques already applied in CMS and will contribute to the discovery or exclusion of Higgs particles within or beyond the Standard Model of particle physics." "Search for a light Brout-Englert-Higgs boson using the matrix element method." "Nick Van Remortel" "Particle Physics Group" "The search for a scalar Higgs particle is one of the main goals of the physics program of the Large Hadron Collider at CERN. Using the data collected by the Compact Muon Solenoid (CMS) experiment we plan to implement and validate a matrix element technique to search for a light neutral scalar Higgs boson. Matrix element techniques incorporate the maximum theoretical knowledge about signal and background processes in order to infer a physical quantity from data. This method will extend the sensitivity of cut-based and multivariate analysis techniques already applied in CMS and will contribute to the discovery or exclusion of Higgs particles within or beyond the Standard Model of particle physics." "Lithium (7Li/6Li) and boron (11B/10B): additions to our existing biogeochemical arsenal of tracers in earth & planetary sciences" "Philippe Claeys" "Ghent University, Analytical, Environmental & Geo-Chemistry, Earth System Sciences, Chemistry" "This project adds the isotopic ratios of lithium (7Li/6Li) and boron (11B/10B) to the biogeochemical toolbox, currently available to the VUB-Ghent researchers. Because of their very low-masses, fractionation effects are large between the two respective isotopes of these elements. Analytically speaking, lithium and boron isotopes are challenging and not commonly measured. The first goal is to set up precise and efficient analytical methodologies,capable to measure in low concentrations of Li and B, their isotope ratios in fossil, sediment, water etc. while at the same time allowing the processing of volumes of samples. In a second phase, these new tracers will be applied to support and expand ongoing projects in two main research avenues: paleoclimate / paleoenvironment reconstructions of ancient sedimentary sequences and characterization of meteorites and micrometeorites collected in Antarctica, near the Belgian research station Princess Elisabeth" "Lithium (7Li/6Li) and boron (11B/10B) isotopes: additions to our existing biogeochemical arsenal of tracers in the Earth and Planetary Sciences" "Development of analytical protocols for chemical isolation of the target elements Li and B out of various sample types for their subsequent high-precision isotopic analysis using multi-collector ICP – mass spectrometry. Li (δ7Li) and B (δ11B) isotope ratios will be used as paleoproxies, i.e. to unravel information on the prevailing temperature, CO2 level, surface erosion levels, etc in the distant past." "Beyond Collinear Factorization: Precision Measurement Era with Predictions from the Parton Branching TMDs." "Pierre Van Mechelen" "Institute of Nuclear Physics, DESY, Particle Physics Group" "Precision measurements have a prominent position at the Large Hadron Collider (LHC) as well as in the new accelerators' physics program and they relay on accurate theoretical predictions. In this proposal, a new way of obtaining predictions, the Parton Branching (PB) method, is discussed. The method, based on transverse momentum dependent (TMD) factorization theorem, aims in applicability to exclusive collider observables in a wide kinematic range. The basic element of cross sections calculations are parton distribution functions (PDFs). In contrast to the widely used collinear approach, the PB does not neglect the 3-dimensional structure of proton: the TMD PDFs (TMDs) are determined thanks to exact kinematic calculation. In this project outline an extensive theory program is proposed to establish connection between the PB and other approaches and to push the PB accuracy from next-to-leading logarithmic approximation to next-to-next-to-leading. The possibility of including small x together with small qt resummation within one approach by using TMD splitting functions will be investigated. The outcome of the project will be a big step forward in a common understanding of the TMD factorization and resummation. The theory developments will result in the new TMDs fit procedure within xFitter package, improved by incorporating the Drell-Yan data. The new TMDs will be used to obtain precise predictions for the crucial DY precision measurements at Run III and High Luminosity LHC." "The CMS experiment at the Large Hadron Collider at CERN." "Pierre Van Mechelen" "Ghent University, Vrije Universiteit Brussel, Particle Physics Group" "To unravel the most fundamental building blocks of matter and how they interact to form the universe around us, is a longterm fascination and challenge of humanity. Participation in the CMS experiment at the LHC particle collider at CERN provides access to the forefront of this international research. With our recent discovery of the Higgs particle, all elementary particles of the Standard Model of particle physics are now observed. We started a unique exploration of how the Higgs particle fits into the model and our experimental verification of the predictability of the model is unprecedented. The omnipresence of dark matter in the universe is only one of the open questions in particle physics for which we seek answers typically by extending the Standard Model with new particles and interactions. Many phenomena related to these extensions can be discovered or tested with our experiment. The scientific ambition of the CMS Collaboration is perfectly aligned with the European Strategy for Particle Physics where the exploration with the LHC and soon its upgraded version is indicated as the highest priority for the field." "The H boson gateway to physics beyond the Standard Model" "Department of Physics and astronomy" "In 2012, a scalar particle has been discovered at the LHC (CERN). As of today, its properties match those of the Higgs boson of the Standard Model (SM), the current theory of fundamental interactions. This discovery has crowned 50 years of research, including seminal work done in Belgium by Brout and Englert. It has also opened a new era for particle physicists, with more-than-ever pressing mysteries to face, including the absence, despite predictions and indirect indications, of signs of new physics at the LHC. The overarching objective of this project, lead by a collaboration of theorists and experimentalists, is to use the Higgs as a probe of still largely unexplored territories beyond the SM. First, we aim at more precisely determining the Higgs boson couplings within the SM, including its self-coupling. We will either discover new interactions, or will constrain the range of possibilities. Concurrently, we will look for new scalar particles, possible siblings of the Higgs boson, a challenging and far-reaching task. Second, we will focus on a special feature of the Higgs boson, that of providing a gateway to a whole new world of hidden particles and interactions, an exploration which may shed light on the dark matter and neutrino mysteries. The proposal brings together the young generation of physicists that has contributed to the discovery of the Higgs and now leads a broad, ambitious and original research project on the high-energy physics frontier." "The CMS experiment at the CERN Large Hadron Collider." "Pierre Van Mechelen" "Ghent University, Vrije Universiteit Brussel, Particle Physics Group" "Exploring elementary particles and their interactions is an age-old endeavour of humanity. With the 27 km circumference Large Hadron Collider (LHC) at CERN and the monumental detectors around it, scientists from all over the world have access to the most advanced tools to continue this exploration. A major achievement was the experimental confirmation of the existence of the Higgs boson particle in 2012, some 50 years after it had been predicted by Robert Brout, François Englert, and Peter Higgs. Fundamental questions about the reality around us, however, remain, such as, e.g., the nature of dark matter, the matter-antimatter asymmetry, the weakness of gravity, and the unification of all forces. The Compact Muon Solenoid (CMS) detector, to which the Flemish particle physics groups contributed in the design, construction, maintenance, and operation since its conception in the 1990's, allows to investigate and test many theoretical ideas that are being proposed to answer these questions. This project is vital to pursue this participation so that our groups can collect and analyse ""Run 3"" data and prepare the CMS detector for the upgraded High-Luminosity LHC." "Graphene as a sensor for cluster-surface interactions: charge transfer, spin scattering, and proximity induced superconductivity" "Ewald Janssens" "Semiconductor Physics, Quantum Solid State Physics (QSP)" "Quantum size effects dominate the electric and magnetic properties of few-atom clusters, resulting in strong size dependences and new phenomena, different from bulk behaviour. To exploit the full potential of these atomic size building blocks in functional nanostructured materials one needs to establish a connection between the clusters and the macroscopic world. We propose an innovative approach to interact with the clusters without destroying their intrinsic properties by i) size selecting clusters in a molecular beam with atomic precision; ii) soft-land and immobilize them on a single layer graphene surface; and iii) subsequently perform charge and spin transport measurements.The novel aspect of this approach is exploitation of the synergy of controlled cluster deposition with the high susceptibility of graphene to adsorbates. The optimal conditions to create a variety of these new hybrid devices will be searched and we will study how the charge transport, spin transport, and superconducting properties of graphene with adsorbed few-atom clusters correlate with the properties of the unsupported clusters.The acquired knowledge will pave the way for the development of nanocluster-based structures and will contribute to the vastly developing area of graphene functionalization where, in particular for nanoparticle adsorbates, a lack of controlled conditions so far limits the scientific progress."