Data-Gouv-ML/pcri-informations-sur-les-projets-laureats huggingface dataset:
Accelerated design and discovery of novel molecular materials via global lattice energy minimisation (ANGLE)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Physical and Analytical Chemical sciences
Countries involved: United Kingdom
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2012-10-01
End date: 2017-09-30
Duration (months): 60.0
Total project cost (EUR): 1499906.0
EU funding (EUR): 1499906.0
Participants: 1
Project status: CLOSED

The goal of crystal engineering is the design of functional crystalline materials in which the arrangement of basic structural building blocks imparts desired properties. The engineering of organic molecular crystals has, to date, relied largely on empirical rules governing the intermolecular association of functional groups in the solid state. However, many materials properties depend intricately on the complete crystal structure, i.e. the unit cell, space group and atomic positions, which cannot be predicted solely using such rules. Therefore, the development of computational methods for crystal structure prediction (CSP) from first principles has been a goal of computational chemistry that could significantly accelerate the design of new materials. It is only recently that the necessary advances in the modelling of intermolecular interactions and developments in algorithms for identifying all relevant crystal structures have come together to provide predictive methods that are becoming reliable and affordable on a timescale that could usefully complement an experimental research programme. The principle aim of the proposed work is to establish the use of state-of-the-art crystal structure prediction methods as a means of guiding the discovery and design of novel molecular materials. This research proposal both continues the development of the computational methods for CSP and, by developing a computational framework for screening of potential molecules, develops the application of these methods for materials design. The areas on which we will focus are organic molecular semiconductors with high charge carrier mobilities and, building on our recently published results in Nature [1], the development of porous organic molecular materials. The project will both deliver novel materials, as well as improvements in the reliability of computational methods that will find widespread applications in materials chemistry. [1] Nature 2011, 474, 367-371.

Keywords: crystal structure prediction,molecular crystals,microporous crystals,charge-transport materials
Long Beamtime Experiments for Nuclear Astrophysics (LOBENA)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Fundamental constituents of matter
Countries involved: Denmark
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2012-11-01
End date: 2018-10-31
Duration (months): 72.0
Total project cost (EUR): 1476075.0
EU funding (EUR): 1476075.0
Participants: 1
Project status: CLOSED

The goal of LOBENA is to measure key properties needed for understanding nuclear processes in the Cosmos. Nuclear Astrophysics plays a key role in our quest to understand the origin and distribution of the chemical elements in our galaxy. Nuclear processes are crucial for understanding the energy production in the universe and are essential for describing the creation of chemical elements from the ashes of the Big Bang. Uncertainties in the nuclear physics can therefore influence our understanding of many astrophysical processes, both those involving stable stellar burning phases and explosive phenomena such as X-ray bursts, gamma-ray bursts and supernovae. In LOBENA (LOng Beamtime Experiments for Nuclear Astrophysics) I will initiate a series of studies in Nuclear Astrophysics, which have in common the need for long beam times and the use of complete kinematics detection of several particles emitted in reactions. The core of the project will focus on the systems 8Be, 12C and 16O where today key open questions of great importance remain to answered. These questions can be addressed by reactions induced by low energy (<5MeV) beams of protons and 3He on light targets such as 6,7Li, 9Be, 10,11B and 19F using a newly developed complete kinematics detection procedure. The department of Physics and Astronomy in Aarhus provides a unique scene for doing these measurements since it provides accelerators where long beam time can be guarantied. LOBENA will also include complimentary experiments at international user facilities such as ISOLDE (CERN), KVI (Groningen), JYFL and (Jyväskylä). With this ERC starting grant proposal I wish to start up my own group around Nuclear Astrophysics experiments in house and at international user facilities. With two Post Doc.s and a Ph.D. I will be much better able to fully exploit the scientific potential of the proposed research, which will also help to consolidate my own research career and give me more independence.

Keywords: helium burning reactions,complete kinematics,indirect detection of radiative transitions,nuclear resonances,astrophysical reaction rates,long beam time experiments,nuclear cluster structure
Bioengineering prediction of three-dimensional vascular growth and remodeling in embryonic great-vessel development (VASCULARGROWTH)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Products and process engineering
Countries involved: Türkiye
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2013-01-01
End date: 2019-07-31
Duration (months): 79.0
Total project cost (EUR): 1995140.0
EU funding (EUR): 1995140.0
Participants: 1
Project status: CLOSED

Globally 1 in 100 children are born with significant congenital heart defects (CHD), representing either new genetic mutations or epigenetic insults that alter cardiac morphogenesis in utero. Embryonic CV systems dynamically regulate structure and function over very short time periods throughout morphogenesis and that biomechanical loading conditions within the heart and great-vessels alter morphogenesis and gene expression. This proposal has structured around a common goal of developing a comprehensive and predictive understanding of the biomechanics and regulation of great-vessel development and its plasticity in response to clinically relevant epigenetic changes in loading conditions. Biomechanical regulation of vascular morphogenesis, including potential aortic arch (AA) reversibility or plasticity after epigenetic events relevant to human CHD are investigated using multimodal experiments in the chick embryo that investigate normal AA growth and remodeling, microsurgical instrumentation that alter ventricular and vascular blood flow loading during critical periods in AA morphogenesis. WP 1 establishes our novel optimization framework, incorporates basic input/output in vivo data sets, and validates. In WP 2 and 3 the numerical models for perturbed biomechanical environment and incorporate new objective functions that have in vivo structural data inputs and predict changes in structure and function. WP 4 incorporates candidate genes and pathways during normal and experimentally altered AA morphogenesis. This proposal develops and validates the first in vivo morphomechanics-integrated three-dimensional mathematical models of AA growth and remodeling that can predict normal growth patterns and abnormal vascular adaptations common in CHD. Multidisciplinary application of bioengineering principles to CHD is likely to provide novel insights and paradigms towards our long-term goal of optimizing CHD interventions, outcomes, and the potential for preventive strategies.

Keywords: congenital heart disease,computational fluid dynamics,cardiovascular fluid mechanics,embryonic cardiovascular development,mechanotransduction,wall shear stress,fontan,aorta,surgery
Polynomial term structure models (POLYTE)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Mathematical foundations
Countries involved: Switzerland
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2012-12-01
End date: 2017-11-30
Duration (months): 60.0
Total project cost (EUR): 995155.0
EU funding (EUR): 995155.0
Participants: 1
Project status: CLOSED

The term structure of interest rates plays a central role in the functioning of the interbank market. It also represents a key factor for the valuation and management of long term liabilities, such as pensions. The financial crisis has revealed the multivariate risk nature of the term structure, which includes inflation, credit and liquidity risk, resulting in multiple spread adjusted discount curves. This has generated a strong interest in tractable stochastic models for the movements of the term structure that can match all determining risk factors. We propose a new class of term structure models based on polynomial factor processes which are defined as jump-diffusions whose generator leaves the space of polynomials of any fixed degree invariant. The moments of their transition distributions are polynomials in the initial state. The coefficients defining this relationship are given as solutions of a system of nested linear ordinary differential equations. As a consequence polynomial processes yield closed form polynomial-rational expressions for the term structure of interest rates. Polynomial processes include affine processes, whose transition functions admit an exponential-affine characteristic function. Affine processes are among the most widely used models in finance to date, but come along with some severe specification limitations. We propose to overcome these shortcomings by studying polynomial processes and polynomial expansion methods achieving a comparable efficiency as Fourier methods in the affine case. In sum, the objectives of this project are threefold. First, we plan to develop a theory for polynomial processes and entirely explore their statistical properties. This fills a gap in the literature on affine processes in particular. Second, we aim to develop polynomial-rational term structure models addressing the new paradigm of multiple spread adjusted discount curves. Third, we plan to implement and estimate these models using real market data.

Keywords: mathematical finance
Deformable Multiple-View Geometry and 3D Reconstruction, with Application to Minimally Invasive Surgery (FLEXABLE)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Computer science and informatics
Countries involved: France
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2013-01-01
End date: 2018-12-31
Duration (months): 72.0
Total project cost (EUR): 1481294.0
EU funding (EUR): 1481294.0
Participants: 2
Project status: CLOSED

Project FLEXABLE lies in the field of 3D Computer Vision, which seeks to recover depth or the 3D shape of the observed environment from images. One of the most successful and mature techniques in 3D Computer Vision is Shape-from-Motion which is based on the well-established theory of Multiple-View Geometry. This uses multiple images and assumes that the environment is rigid. The world is however made of objects which move and undergo deformations. Researchers have tried to extend Shape-from-Motion to a deformable environment for about a decade, yet with only very limited success to date. We believe that there are two main reasons for this. Firstly there is still a lack of a solid theory for Deformable Shape-from-Motion. Fundamental questions, such as what kinds of deformation can facilitate unambiguous 3D reconstruction, are not yet answered. Secondly practical solutions have not yet come about: for accurate and dense 3D shape results, the Motion cue must be combined with other visual cues, since it is certainly weaker in the deformable case. It may require strong object-specific priors, needing one to bridge the gap with object recognition. This project develops these two key areas. It includes three main lines of research: theory, its computational implementation, and its real-world application. Deformable Multiple-View Geometry will generalize the existing rigid theory and will provide researchers with a rigorous mathematical framework that underpins the use of Motion as a proper visual cue for Deformable 3D Reconstruction. Our theory will require us to introduce new mathematical tools from differentiable projective manifolds. Our implementation will study and develop new computational means for solving the difficult inverse problems formulated in our theory. Finally, we will develop cutting-edge applications of our framework specific to Minimally Invasive Surgery, for which there is a very high need for 3D computer vision.

Keywords: non-rigid shape,shape-from-x,projective geometry,differentiable manifolds,laparoscopy
Noncommutative geometry and quantum groups (NCGQG)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Mathematical foundations
Countries involved: Norway
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2013-01-01
End date: 2017-12-31
Duration (months): 60.0
Total project cost (EUR): 1144930.0
EU funding (EUR): 1144930.0
Participants: 1
Project status: CLOSED

The goal of the project is to make fundamental contributions to the study of quantum groups in the operator algebraic setting. Two main directions it aims to explore are noncommutative differential geometry and boundary theory of quantum random walks. The idea behind noncommutative geometry is to bring geometric insight to the study of noncommutative algebras and to analyze spaces which are beyond the reach via classical means. It has been particularly successful in the latter, for example, in the study of the spaces of leaves of foliations. Quantum groups supply plenty of examples of noncommutative algebras, but the question how they fit into noncommutative geometry remains complicated. A successful union of these two areas is important for testing ideas of noncommutative geometry and for its development in new directions. One of the main goals of the project is to use the momentum created by our recent work in the area in order to further expand the boundaries of our understanding. Specifically, we are going to study such problems as the local index formula, equivariance of Dirac operators with respect to the dual group action (with an eye towards the Baum-Connes conjecture for discrete quantum groups), construction of Dirac operators on quantum homogeneous spaces, structure of quantized C*-algebras of continuous functions, computation of dual cohomology of compact quantum groups. The boundary theory of quantum random walks was created around ten years ago. In the recent years there has been a lot of progress on the “measure-theoretic” side of the theory, while the questions largely remain open on the “topological” side. A significant progress in this area can have a great influence on understanding of quantum groups, construction of new examples and development of quantum probability. The main problems we are going to study are boundary convergence of quantum random walks and computation of Martin boundaries.

Keywords: quantum groups,noncommutative geometry
Sublinear algorithms for the analysis of very large graphs (SUBLINEAR)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Computer science and informatics
Countries involved: Germany
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2012-12-01
End date: 2018-07-31
Duration (months): 68.0
Total project cost (EUR): 1475306.0
EU funding (EUR): 1475306.0
Participants: 1
Project status: CLOSED

Large graphs appear in many application areas. Typical examples are the webgraph, the internet graph, friendship graphs of social networks like facebook or Google+, citation graphs, collaboration graphs, and transportation networks. The structure of these graphs contains valuable information but their size makes them very hard to analyze. We need special algorithm that analyze the graph structure via random sampling. The main objective of the proposed project is to advance our understanding of the foundations of sampling processes for the analysis of the structure of large graphs. We will use the approach of Property Testing, a theoretical framework to analyze such sampling algorithms.

Keywords: property testing,randomized algorithms,approximation algorithms
Comparing and Analyzing Collections of Surfaces (SURFCOMP)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Computer science and informatics
Countries involved: Israel
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2012-09-01
End date: 2017-08-31
Duration (months): 60.0
Total project cost (EUR): 1113744.0
EU funding (EUR): 1113744.0
Participants: 1
Project status: CLOSED

The proposed research program intends to cover all aspects of the problem of learning and analyzing collections of surfaces and apply the developed methods and algorithms to a wide range of scientific data. The proposal has two parts: In the first part of the proposal, we concentrate on developing the most basic operators comparing automatically pairs of surfaces. Although this problem has received a lot of attention in recent years, and significant progress has been made, there is still a great need for algorithms that are both efficient/tractable and come with guarantees of convergence or accuracy. The main difficulty in most approaches so far is that they work in a huge and non-linear search space to compare surfaces; most algorithms resort to gradient descent from an initial guess, risking to find only local optimal solution. We offer a few research directions to tackle this problem based on the idea of identifying EFFICIENT search spaces that APPROXIMATE the desired optimal correspondence. In the second part of the proposal we propose to make use of the methods developed in the first part to perform global analysis of, or learn, collections of surfaces. We put special emphasis on ``real-world'' applications and intend to validate our algorithm on a significant collection, including data-sets such as biological anatomic data-sets and computer graphics' benchmark collections of surfaces. We propose to formulate and construct geometric structures on these collections and investigate their domain specific implications.

Keywords: surface alignment,surface matching,shape space,geometry processing,conformal mappings,quasiconformal mappings,anatomical surfaces
Theory of Fundamental Interactions at the Nanoscale (FIN)

Framework: FP7 — Ideas
Programme: European Research Council
Theme: European research council
Destination: Starting grants
Action type: Support for frontier research (ERC)
Panel: Physical and Analytical Chemical sciences
Countries involved: United Kingdom
Call:  (ERC-2012-StG_20111012, 2012)
Start date: 2013-01-01
End date: 2018-06-30
Duration (months): 66.0
Total project cost (EUR): 1400341.0
EU funding (EUR): 1400341.0
Participants: 1
Project status: CLOSED

At the heart of this multi-disciplinary research project lie two emerging prominent theoretical models developed by the applicant in the past 12 months, which underpin the fundamental interactions taking place at the nanometre scale. In 2010, the applicant proposed a general solution to the fundamental problem of the attraction between like-charged dielectric nanoparticles. This is the first time a comprehensive solution to this problem has been presented, and it has the potential to transform our understanding of how charged nanoparticles interact in the gas phase and solutions. Studies of nanoparticles have opened new avenues for exploration of the principles that underpin the transition from the gas phase to the solid state. The capability of nanoparticles to modify their shape in order to minimize the free energy leads to structure modifications that can be observed on a time scale accessible by electron microscopy techniques. A unique computational methodology has been developed by the applicant, which has an advantage over the state-of-the-art image simulation techniques in its ability to simulate the dynamics of structural transformations under the influence of the electron beam. The proposed core theoretical frameworks are central tools of the project. Their fundamental nature offers solutions to problems across wide-ranging disciplines. The models will be advanced during the project and introduced to the experts in the application areas in order to find solutions to a number of common problems, which to date remain un-solved. The application areas, which will be addressed, include the electrostatic charging of pharmaceutical powders during manufacture and handling; the charge scavenging in the formation of solar systems; self-assembly of charged nanoparticles in solutions; proton transfer in biological molecules; structure-property correlations of nanomaterials; and design of innovative oxidation catalysts using inorganic polyoxometalates.

Keywords: dielectric nanoparticles,polarisation,electrostatic interactions,transmission electron microscopy,image simulation,molecular dynamics,density functional theory