Project acronym AMSEL
Project Atomic Force Microscopy for Molecular Structure Elucidation
Researcher (PI) Leo Gross
Host Institution (HI) IBM RESEARCH GMBH
Call Details Consolidator Grant (CoG), PE4, ERC-2015-CoG
Summary Molecular structure elucidation is of great importance in synthetic chemistry, pharmacy, life sciences, energy and environmental sciences, and technology applications. To date structure elucidation by atomic force microscopy (AFM) has been demonstrated for a few, small and mainly planar molecules. In this project high-risk, high-impact scientific questions will be solved using structure elucidation with the AFM employing a novel tool and novel methodologies.
A combined low-temperature scanning tunneling microscope/atomic force microscope (LT-STM/AFM) with high throughput and in situ electrospray deposition method will be developed. Chemical resolution will be achieved by novel measurement techniques, in particular the usage of different and novel tip functionalizations and combination with Kelvin probe force microscopy. Elements will be identified using substructure recognition provided by a database that will be erected and by refined theory and simulations.
The developed tools and techniques will be applied to molecules of increasing fragility, complexity, size, and three-dimensionality. In particular samples that are challenging to characterize with conventional methods will be studied. Complex molecular mixtures will be investigated molecule-by-molecule taking advantage of the single-molecule sensitivity. The absolute stereochemistry of molecules will be determined, resolving molecules with multiple stereocenters. The operation of single molecular machines as nanocars and molecular gears will be investigated. Reactive intermediates generated with atomic manipulation will be characterized and their on-surface reactivity will be studied by AFM.
Summary
Molecular structure elucidation is of great importance in synthetic chemistry, pharmacy, life sciences, energy and environmental sciences, and technology applications. To date structure elucidation by atomic force microscopy (AFM) has been demonstrated for a few, small and mainly planar molecules. In this project high-risk, high-impact scientific questions will be solved using structure elucidation with the AFM employing a novel tool and novel methodologies.
A combined low-temperature scanning tunneling microscope/atomic force microscope (LT-STM/AFM) with high throughput and in situ electrospray deposition method will be developed. Chemical resolution will be achieved by novel measurement techniques, in particular the usage of different and novel tip functionalizations and combination with Kelvin probe force microscopy. Elements will be identified using substructure recognition provided by a database that will be erected and by refined theory and simulations.
The developed tools and techniques will be applied to molecules of increasing fragility, complexity, size, and three-dimensionality. In particular samples that are challenging to characterize with conventional methods will be studied. Complex molecular mixtures will be investigated molecule-by-molecule taking advantage of the single-molecule sensitivity. The absolute stereochemistry of molecules will be determined, resolving molecules with multiple stereocenters. The operation of single molecular machines as nanocars and molecular gears will be investigated. Reactive intermediates generated with atomic manipulation will be characterized and their on-surface reactivity will be studied by AFM.
Max ERC Funding
2 000 000 €
Duration
Start date: 2016-06-01, End date: 2021-05-31
Project acronym ARTIVISM
Project Art and Activism : Creativity and Performance as Subversive Forms of Political Expression in Super-Diverse Cities
Researcher (PI) Monika Salzbrunn
Host Institution (HI) UNIVERSITE DE LAUSANNE
Call Details Consolidator Grant (CoG), SH5, ERC-2015-CoG
Summary ARTIVISM aims at exploring new artistic forms of political expression under difficult, precarious and/or oppressive conditions. It asks how social actors create belonging and multiple forms of resistance when they use art in activism or activism in art. What kind of alliances do these two forms of social practices generate in super-diverse places, in times of crisis and in precarious situations? Thus, ARTIVISM seeks to understand how social actors engage artistically in order to bring about social, economic and political change. Going beyond former research in urban and migration studies, and beyond the anthropology of art, ARTIVISM focuses on a broad range of artistic tools, styles and means of expression, namely festive events and parades, cartoons and comics and street art. By articulating performance studies, street anthropology and the sociology of celebration with migration and diversity studies, the project challenges former concepts, which took stable social groups for granted and reified them with ethnic lenses. The applied methodology considerably renews the field by bringing together event-, actor- and condition-centred approaches and a multi-sensory framework. Besides its multidisciplinary design, the ground-breaking nature of ARTIVISM lies in the application of the core concepts of performativity and liminality, as well as in an examination of the way to advance and refine these concepts and to create new analytical tools to respond to recent social phenomena. We have developed and tested innovative methods that respond to a postmodern type of fluid and temporary social action: audio-visual ethnography, urban event ethnography, street ethnography, field-crossing, and sensory ethnography (apprenticeship). Therefore, ARTIVISM develops new methods and theories in order to introduce a multi-faceted trans-disciplinary approach to the study of an emerging field of social transformations that is of challenging significance to the social sciences.
Summary
ARTIVISM aims at exploring new artistic forms of political expression under difficult, precarious and/or oppressive conditions. It asks how social actors create belonging and multiple forms of resistance when they use art in activism or activism in art. What kind of alliances do these two forms of social practices generate in super-diverse places, in times of crisis and in precarious situations? Thus, ARTIVISM seeks to understand how social actors engage artistically in order to bring about social, economic and political change. Going beyond former research in urban and migration studies, and beyond the anthropology of art, ARTIVISM focuses on a broad range of artistic tools, styles and means of expression, namely festive events and parades, cartoons and comics and street art. By articulating performance studies, street anthropology and the sociology of celebration with migration and diversity studies, the project challenges former concepts, which took stable social groups for granted and reified them with ethnic lenses. The applied methodology considerably renews the field by bringing together event-, actor- and condition-centred approaches and a multi-sensory framework. Besides its multidisciplinary design, the ground-breaking nature of ARTIVISM lies in the application of the core concepts of performativity and liminality, as well as in an examination of the way to advance and refine these concepts and to create new analytical tools to respond to recent social phenomena. We have developed and tested innovative methods that respond to a postmodern type of fluid and temporary social action: audio-visual ethnography, urban event ethnography, street ethnography, field-crossing, and sensory ethnography (apprenticeship). Therefore, ARTIVISM develops new methods and theories in order to introduce a multi-faceted trans-disciplinary approach to the study of an emerging field of social transformations that is of challenging significance to the social sciences.
Max ERC Funding
1 999 287 €
Duration
Start date: 2016-09-01, End date: 2021-08-31
Project acronym CLUSTER
Project Birth of solids: atomic-scale processes in crystal nucleation
Researcher (PI) Rolf Erni
Host Institution (HI) EIDGENOSSISCHE MATERIALPRUFUNGS- UND FORSCHUNGSANSTALT
Call Details Consolidator Grant (CoG), PE4, ERC-2015-CoG
Summary The goal of this project is to explore the fundamental processes which trigger the nucleation and growth of solids. Condensed matter is formed by clustering of atoms, ions or molecules. This initial step is key for the onset of crystallization, condensation and precipitate formation. Yet, despite of the scientific and technological significance of these phenomena, on an atomistic level we merely have expectations on how atoms should behave rather than experimental evidence about how the growth of solid matter is initiated. The classical nucleation theory is commonly in agreement with experiments, provided the original and the final stages are inspected qualitatively. However, the classical theory does not define what fundamentally constitutes a pre-nucleation state or how a nucleus is formed at all. CLUSTER aims at investigating the very early stages of crystalline matter formation on an unprecedented length scale. It shall explore the atomic mechanisms which prompt the formation of solids. Complemented by density functional theory calculations and molecular dynamics simulations, in-situ high-resolution electron microscopy shall be used to investigate the formation, dynamics, stability and evolution of tiniest atomic clusters which represent the embryos of solid matter. Firstly, we investigate the 3D structure of clusters deposited on suspended graphene. Secondly, we focus on cluster formation, the evolution of sub-critical nuclei and the onset of particle growth by thermal activation. Thirdly, using a novel liquid-cell approach in the transmission electron microscope, we control and monitor in-situ cluster formation and precipitation in supersaturated solutions. The results of CLUSTER, which will advance the understanding of the birth of solid matter, are important for the controlled synthesis of (nano-)materials, for cluster science and catalysis and for the development of novel materials.
Summary
The goal of this project is to explore the fundamental processes which trigger the nucleation and growth of solids. Condensed matter is formed by clustering of atoms, ions or molecules. This initial step is key for the onset of crystallization, condensation and precipitate formation. Yet, despite of the scientific and technological significance of these phenomena, on an atomistic level we merely have expectations on how atoms should behave rather than experimental evidence about how the growth of solid matter is initiated. The classical nucleation theory is commonly in agreement with experiments, provided the original and the final stages are inspected qualitatively. However, the classical theory does not define what fundamentally constitutes a pre-nucleation state or how a nucleus is formed at all. CLUSTER aims at investigating the very early stages of crystalline matter formation on an unprecedented length scale. It shall explore the atomic mechanisms which prompt the formation of solids. Complemented by density functional theory calculations and molecular dynamics simulations, in-situ high-resolution electron microscopy shall be used to investigate the formation, dynamics, stability and evolution of tiniest atomic clusters which represent the embryos of solid matter. Firstly, we investigate the 3D structure of clusters deposited on suspended graphene. Secondly, we focus on cluster formation, the evolution of sub-critical nuclei and the onset of particle growth by thermal activation. Thirdly, using a novel liquid-cell approach in the transmission electron microscope, we control and monitor in-situ cluster formation and precipitation in supersaturated solutions. The results of CLUSTER, which will advance the understanding of the birth of solid matter, are important for the controlled synthesis of (nano-)materials, for cluster science and catalysis and for the development of novel materials.
Max ERC Funding
2 271 250 €
Duration
Start date: 2016-06-01, End date: 2021-05-31
Project acronym COLOUR
Project THE COLOUR OF LABOUR: THE RACIALIZED LIVES OF MIGRANTS
Researcher (PI) Cristiana BASTOS
Host Institution (HI) INSTITUTO DE CIENCIAS SOCIAIS
Call Details Advanced Grant (AdG), SH6, ERC-2015-AdG
Summary This project is about the racialization of migrant labourers across political boundaries, with a main focus on impoverished Europeans who served in huge numbers as indentured labourers in nineteenth-century Guianese, Caribbean and Hawaiian sugar plantations and in the workforce of late nineteenth and early twentieth century New England cotton mills.
With this project I aim to provide major, innovative contributions on three fronts:
(i) theory-making, by working the concepts of race, racism, racialization, embodiment and memory in association with migrant work across political boundaries and imperial classifications;
(ii) social relevance of basic research, by linking an issue of pressing urgency in contemporary Europe to substantive, broad-scope, and multi-sited anthropological/historical research on the wider structures of domination, rather than to targeted problem-solving research of immediate applicability;
(iii) disciplinary scope, by proposing to unsettle historical anthropology and ethnographic history from within the boundaries of a single empire, and to overcome the limitations of existing comparative studies, by inquiring into the flows and interactions between competing empires.
I will also:
(iv) strengthen the methodology for multi-sited, multi-period research in anthropology;
(v) contribute to an anthropology of global connections and trans-local approaches;
(vi) promote the multidisciplinary and combined-methods approach to complex subjects;
(vii) narrate a poorly known set of historical situations of labour racializations involving Europeans and document the ways they reverberate through generations; and
(viii) make the analysis available to both academic audiences and the different communities involved in the research.
Summary
This project is about the racialization of migrant labourers across political boundaries, with a main focus on impoverished Europeans who served in huge numbers as indentured labourers in nineteenth-century Guianese, Caribbean and Hawaiian sugar plantations and in the workforce of late nineteenth and early twentieth century New England cotton mills.
With this project I aim to provide major, innovative contributions on three fronts:
(i) theory-making, by working the concepts of race, racism, racialization, embodiment and memory in association with migrant work across political boundaries and imperial classifications;
(ii) social relevance of basic research, by linking an issue of pressing urgency in contemporary Europe to substantive, broad-scope, and multi-sited anthropological/historical research on the wider structures of domination, rather than to targeted problem-solving research of immediate applicability;
(iii) disciplinary scope, by proposing to unsettle historical anthropology and ethnographic history from within the boundaries of a single empire, and to overcome the limitations of existing comparative studies, by inquiring into the flows and interactions between competing empires.
I will also:
(iv) strengthen the methodology for multi-sited, multi-period research in anthropology;
(v) contribute to an anthropology of global connections and trans-local approaches;
(vi) promote the multidisciplinary and combined-methods approach to complex subjects;
(vii) narrate a poorly known set of historical situations of labour racializations involving Europeans and document the ways they reverberate through generations; and
(viii) make the analysis available to both academic audiences and the different communities involved in the research.
Max ERC Funding
2 161 397 €
Duration
Start date: 2016-09-01, End date: 2021-08-31
Project acronym DIRECT-fMRI
Project Sensing activity-induced cell swellings and ensuing neurotransmitter releases for in-vivo functional imaging sans hemodynamics
Researcher (PI) Noam Shemesh
Host Institution (HI) FUNDACAO D. ANNA SOMMER CHAMPALIMAUD E DR. CARLOS MONTEZ CHAMPALIMAUD
Call Details Starting Grant (StG), PE4, ERC-2015-STG
Summary Functional-Magnetic Resonance Imaging (fMRI) has transformed our understanding of brain function due to its ability to noninvasively tag ‘active’ brain regions. Nevertheless, fMRI only detects neural activity indirectly, by relying on slow hemodynamic couplings whose relationships with underlying neural activity are not fully known.
We have recently pioneered two unique MR approaches: Non-Uniform Oscillating-Gradient Spin-Echo (NOGSE) MRI and Relaxation Enhanced MR Spectroscopy (RE MRS). NOGSE-MRI is an exquisite microstructural probe, sensing cell sizes (l) with an unprecedented l^6 sensitivity (compared to l^2 in conventional approaches); RE MRS is a new spectral technique capable of recording metabolic signals with extraordinary fidelity at ultrahigh fields.
This proposal aims to harness these novel concepts for mapping neural activity directly, without relying on hemodynamics. The specific objectives of this proposal are:
(1) Mapping neural activity via sensing cell swellings upon activity (μfMRI): we hypothesize that NOGSE can robustly sense subtle changes in cellular microstructure upon neural firings and hence convey neural activity directly.
(2) Probing the nature of elicited activity via detection of neurotransmitter release: we posit that RE MRS is sufficiently sensitive to robustly detect changes in Glutamate and GABA signals upon activation.
(3) Network mapping in optogenetically-stimulated, behaving mice: we propose to couple our novel approaches with optogenetics to resolve neural correlates of behavior in awake, behaving mice.
Simulations for μfMRI predict >4% signal changes upon subtle cell swellings; further, our in vivo RE MRS experiments have detected metabolites with SNR>50 in only 6 seconds. Hence, these two complementary –and importantly, hemodynamics-independent– approaches will represent a true paradigm shift: from indirect detection of neurovasculature couplings towards direct and noninvasive mapping of neural activity in vivo.
Summary
Functional-Magnetic Resonance Imaging (fMRI) has transformed our understanding of brain function due to its ability to noninvasively tag ‘active’ brain regions. Nevertheless, fMRI only detects neural activity indirectly, by relying on slow hemodynamic couplings whose relationships with underlying neural activity are not fully known.
We have recently pioneered two unique MR approaches: Non-Uniform Oscillating-Gradient Spin-Echo (NOGSE) MRI and Relaxation Enhanced MR Spectroscopy (RE MRS). NOGSE-MRI is an exquisite microstructural probe, sensing cell sizes (l) with an unprecedented l^6 sensitivity (compared to l^2 in conventional approaches); RE MRS is a new spectral technique capable of recording metabolic signals with extraordinary fidelity at ultrahigh fields.
This proposal aims to harness these novel concepts for mapping neural activity directly, without relying on hemodynamics. The specific objectives of this proposal are:
(1) Mapping neural activity via sensing cell swellings upon activity (μfMRI): we hypothesize that NOGSE can robustly sense subtle changes in cellular microstructure upon neural firings and hence convey neural activity directly.
(2) Probing the nature of elicited activity via detection of neurotransmitter release: we posit that RE MRS is sufficiently sensitive to robustly detect changes in Glutamate and GABA signals upon activation.
(3) Network mapping in optogenetically-stimulated, behaving mice: we propose to couple our novel approaches with optogenetics to resolve neural correlates of behavior in awake, behaving mice.
Simulations for μfMRI predict >4% signal changes upon subtle cell swellings; further, our in vivo RE MRS experiments have detected metabolites with SNR>50 in only 6 seconds. Hence, these two complementary –and importantly, hemodynamics-independent– approaches will represent a true paradigm shift: from indirect detection of neurovasculature couplings towards direct and noninvasive mapping of neural activity in vivo.
Max ERC Funding
1 787 500 €
Duration
Start date: 2016-03-01, End date: 2021-02-28
Project acronym DYNAMOX
Project Charge carrier dynamics in metal oxides
Researcher (PI) Majed CHERGUI
Host Institution (HI) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Call Details Advanced Grant (AdG), PE4, ERC-2015-AdG
Summary Transition metal (TM) oxides (TiO2, ZnO, NiO) are large gap insulators that have emerged as highly attractive materials over the past two decades for applications in photocatalysis, solar energy conversion, etc., all of which rely on the generation of charge carriers, their evolution and their eventual trapping at defects or a self-trapped excitons. Despite the huge interest for such materials, the very nature of the elementary electronic excitations (Frenkel, Wannier or charge transfer exciton) is still not established, nor is the way these excitations evolve after being created: excitonic polaron or charged polaron. Finally, the electron and hole recombine is also not clearly established because of issue of defects and trapping.
In order to tackle these issues, here we implement novel experimental tools that would provide us with hitherto inaccessible information about the charge carrier dynamics in TM oxides. Of importance is the ability to detect both the electrons and the holes. Some of these tools have been developed in the PI’s group: i) Ultrafast X-ray absorption spectroscopy (XAS) will provide information about the final metal d-orbitals and about the structural changes around it; ii) Ultrafast X-ray emission (XES) will provide information about hole states. While these two approaches are ideal element-selective ones, the localization of the electron at metal atoms represents a small proportion of the electron population. Therefore, ultrafast Angle-resolved photoemission spectroscopy (ARPES) will be used to map out the band structure changes in the system and the evolution of the conduction band electrons. Ultrafast 2-dimensional (2D) UV (<400nm) transient absorption spectroscopy allows the mapping of the time evolution of both the valence and the conduction bands by its ability to pump and probe above the band gap. Last, Fourier Transform visible 2D spectroscopy will allow the probing of gap state dynamics at high time resolution.
Summary
Transition metal (TM) oxides (TiO2, ZnO, NiO) are large gap insulators that have emerged as highly attractive materials over the past two decades for applications in photocatalysis, solar energy conversion, etc., all of which rely on the generation of charge carriers, their evolution and their eventual trapping at defects or a self-trapped excitons. Despite the huge interest for such materials, the very nature of the elementary electronic excitations (Frenkel, Wannier or charge transfer exciton) is still not established, nor is the way these excitations evolve after being created: excitonic polaron or charged polaron. Finally, the electron and hole recombine is also not clearly established because of issue of defects and trapping.
In order to tackle these issues, here we implement novel experimental tools that would provide us with hitherto inaccessible information about the charge carrier dynamics in TM oxides. Of importance is the ability to detect both the electrons and the holes. Some of these tools have been developed in the PI’s group: i) Ultrafast X-ray absorption spectroscopy (XAS) will provide information about the final metal d-orbitals and about the structural changes around it; ii) Ultrafast X-ray emission (XES) will provide information about hole states. While these two approaches are ideal element-selective ones, the localization of the electron at metal atoms represents a small proportion of the electron population. Therefore, ultrafast Angle-resolved photoemission spectroscopy (ARPES) will be used to map out the band structure changes in the system and the evolution of the conduction band electrons. Ultrafast 2-dimensional (2D) UV (<400nm) transient absorption spectroscopy allows the mapping of the time evolution of both the valence and the conduction bands by its ability to pump and probe above the band gap. Last, Fourier Transform visible 2D spectroscopy will allow the probing of gap state dynamics at high time resolution.
Max ERC Funding
2 482 305 €
Duration
Start date: 2016-10-01, End date: 2021-09-30
Project acronym FEVER
Project Forecasting the recurrence rate of volcanic eruptions
Researcher (PI) Luca Caricchi
Host Institution (HI) UNIVERSITE DE GENEVE
Call Details Starting Grant (StG), PE10, ERC-2015-STG
Summary Volcanic eruptions occur with a frequency that is inversely proportional to their magnitude. Datasets of natural volcanic events, currently used to determine the recurrence rate of volcanic eruptions are intrinsically biased. Combining physical modelling of processes with detailed statistical analysis has been demonstrated essential for assessing reliably the recurrence rate of natural hazards, such as floods and earthquakes. This would be the first attempt to apply a similar, integrated approach to explosive volcanic eruptions.
The high-gain final target of FEVER is to produce a physically based statistical model able to ForEcast the recurrence rate of Volcanic Eruptions both at regional and global scale. This is the first project of this kind and consequently involves a significant risk. Because 500 million people live in proximity of volcanoes and eruptions have a significant social and economical impact, forecasting the recurrence rate of volcanic eruption remains a great challenge in Science.
This project builds on two main directions of my research: a) Thermo-mechanical and statistical modelling targeting the identification of the main physical factors controlling the recurrence rate of volcanic eruptions. We showed that the flux of magma from depth directly controls the magnitude of the largest possible eruptions. Thus, b) we developed a novel method to determine such magma fluxes. These two lines of research combine perfectly in FEVER and will be integrated to answer questions such as: What is the probability of an eruption similar to the Tambora 1815 to occur in the next 100 years on Earth or in Europe? What is the largest physically possible eruption that can occur in Europe?
The high-gain target of FEVER is to mitigate the impact of volcanic eruptions on our society, by producing research of interest for governmental agencies dealing with location of strategic infrastructures, and for businesses such as aviation.
Summary
Volcanic eruptions occur with a frequency that is inversely proportional to their magnitude. Datasets of natural volcanic events, currently used to determine the recurrence rate of volcanic eruptions are intrinsically biased. Combining physical modelling of processes with detailed statistical analysis has been demonstrated essential for assessing reliably the recurrence rate of natural hazards, such as floods and earthquakes. This would be the first attempt to apply a similar, integrated approach to explosive volcanic eruptions.
The high-gain final target of FEVER is to produce a physically based statistical model able to ForEcast the recurrence rate of Volcanic Eruptions both at regional and global scale. This is the first project of this kind and consequently involves a significant risk. Because 500 million people live in proximity of volcanoes and eruptions have a significant social and economical impact, forecasting the recurrence rate of volcanic eruption remains a great challenge in Science.
This project builds on two main directions of my research: a) Thermo-mechanical and statistical modelling targeting the identification of the main physical factors controlling the recurrence rate of volcanic eruptions. We showed that the flux of magma from depth directly controls the magnitude of the largest possible eruptions. Thus, b) we developed a novel method to determine such magma fluxes. These two lines of research combine perfectly in FEVER and will be integrated to answer questions such as: What is the probability of an eruption similar to the Tambora 1815 to occur in the next 100 years on Earth or in Europe? What is the largest physically possible eruption that can occur in Europe?
The high-gain target of FEVER is to mitigate the impact of volcanic eruptions on our society, by producing research of interest for governmental agencies dealing with location of strategic infrastructures, and for businesses such as aviation.
Max ERC Funding
1 458 192 €
Duration
Start date: 2016-04-01, End date: 2021-03-31
Project acronym HBMAP
Project Decoding, Mapping and Designing the Structural Complexity of Hydrogen-Bond Networks: from Water to Proteins to Polymers
Researcher (PI) Michele Ceriotti
Host Institution (HI) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Call Details Starting Grant (StG), PE4, ERC-2015-STG
Summary Hydrogen bonds are ubiquitous and fundamental in nature, underpinning the behavior of systems as different as water, proteins and polymers. Much of this flexibility derives from their propensity to form complex topological networks, which can be strong enough to hold Kevlar together, or sufficiently labile to enable reversible structural transitions in allosteric proteins.
Simulations must treat the quantum nature of both electrons and protons to describe accurately the microscopic structure of H-bonded materials, but this wealth of data does not necessarily translate into deep physical understanding. Even the structure of a compound as essential as water is still the subject of intense debate, despite extensive investigations. Identifying recurring bonding patterns is essential to comprehend and manipulate the structural and dynamical properties of H-bonded systems.
Our objective is to develop and apply machine-learning techniques to atomistic simulations, and identify the design principles that govern the structure and properties of H-bonded compounds. Our strategy rests on three efforts: (1) recognition of recurring structural motifs with probabilistic data analysis; (2) coarse-grained mapping of the energetically accessible structural landscape by non-linear dimensionality reduction techniques; (3) acceleration of configuration sampling using these data-driven collective variables.
Identifying motifs and order parameters will be crucial to interpret simulations and experiments of growing complexity, and will enable computational design of H-bond networks. We will focus first on two objectives. (1) Rationalizing the structure of crystalline, amorphous and liquid water across its phase diagram, from ambient to astrophysical conditions, and its response to solutes, interfaces or confinement. (2) Enabling efficient simulation and structural design of polymers and proteins in non-biological contexts, targeting biomimetic materials and organic/inorganic interfaces.
Summary
Hydrogen bonds are ubiquitous and fundamental in nature, underpinning the behavior of systems as different as water, proteins and polymers. Much of this flexibility derives from their propensity to form complex topological networks, which can be strong enough to hold Kevlar together, or sufficiently labile to enable reversible structural transitions in allosteric proteins.
Simulations must treat the quantum nature of both electrons and protons to describe accurately the microscopic structure of H-bonded materials, but this wealth of data does not necessarily translate into deep physical understanding. Even the structure of a compound as essential as water is still the subject of intense debate, despite extensive investigations. Identifying recurring bonding patterns is essential to comprehend and manipulate the structural and dynamical properties of H-bonded systems.
Our objective is to develop and apply machine-learning techniques to atomistic simulations, and identify the design principles that govern the structure and properties of H-bonded compounds. Our strategy rests on three efforts: (1) recognition of recurring structural motifs with probabilistic data analysis; (2) coarse-grained mapping of the energetically accessible structural landscape by non-linear dimensionality reduction techniques; (3) acceleration of configuration sampling using these data-driven collective variables.
Identifying motifs and order parameters will be crucial to interpret simulations and experiments of growing complexity, and will enable computational design of H-bond networks. We will focus first on two objectives. (1) Rationalizing the structure of crystalline, amorphous and liquid water across its phase diagram, from ambient to astrophysical conditions, and its response to solutes, interfaces or confinement. (2) Enabling efficient simulation and structural design of polymers and proteins in non-biological contexts, targeting biomimetic materials and organic/inorganic interfaces.
Max ERC Funding
1 500 000 €
Duration
Start date: 2016-05-01, End date: 2021-04-30
Project acronym INCLUDE
Project Indigenous Communities, Land Use and Tropical Deforestation
Researcher (PI) Michele Graziano Ceddia
Host Institution (HI) UNIVERSITAET BERN
Call Details Consolidator Grant (CoG), SH3, ERC-2015-CoG
Summary Tropical deforestation is an important contributor to climate change, through the release of significant amounts of carbon in the atmosphere. The main proximate cause of deforestation in tropical regions is agricultural expansion, followed by timber extraction. The general objective of this research is to understand how the interaction of technological, environmental, economic and social factors influence land use dynamics, including household decisions, about agricultural expansion and resource extraction in sensitive tropical regions. More specific questions relate to the role of various governance structures, particularly those recognizing common property regimes of land tenure to indigenous and rural communities, and the deliberative evaluation about the opportunity of reforming such structures in order to reduce deforestation and forest degradation. Although such aspects have been addressed in a variety of contexts, the approach proposed here is novel as a) it explicitly models the interaction between institutional, environmental, technological and socio-economic factors at different spatio-temporal scales, b) it specifically focuses on the governance structures associated with different land tenure regimes through the lenses of Social Network Analysis (SNA), c) uses a Q-methodology framework to develop a participatory approach to study stakeholders’ perspectives and attitudes on the necessary governance interventions to prevent deforestation and forest degradation and d) it assesses the relationships between agricultural expansion, deforestation, governance structures and stakeholders’ attitudes, with particular attention to the sensitivity of household land use decisions and resource extraction. In order to meet the research objectives, this project will focus on the province of Salta in the dry Chaco in North-Western Argentina, a region characterized by high rates of land cover change and the presence of indigenous/rural communities.
Summary
Tropical deforestation is an important contributor to climate change, through the release of significant amounts of carbon in the atmosphere. The main proximate cause of deforestation in tropical regions is agricultural expansion, followed by timber extraction. The general objective of this research is to understand how the interaction of technological, environmental, economic and social factors influence land use dynamics, including household decisions, about agricultural expansion and resource extraction in sensitive tropical regions. More specific questions relate to the role of various governance structures, particularly those recognizing common property regimes of land tenure to indigenous and rural communities, and the deliberative evaluation about the opportunity of reforming such structures in order to reduce deforestation and forest degradation. Although such aspects have been addressed in a variety of contexts, the approach proposed here is novel as a) it explicitly models the interaction between institutional, environmental, technological and socio-economic factors at different spatio-temporal scales, b) it specifically focuses on the governance structures associated with different land tenure regimes through the lenses of Social Network Analysis (SNA), c) uses a Q-methodology framework to develop a participatory approach to study stakeholders’ perspectives and attitudes on the necessary governance interventions to prevent deforestation and forest degradation and d) it assesses the relationships between agricultural expansion, deforestation, governance structures and stakeholders’ attitudes, with particular attention to the sensitivity of household land use decisions and resource extraction. In order to meet the research objectives, this project will focus on the province of Salta in the dry Chaco in North-Western Argentina, a region characterized by high rates of land cover change and the presence of indigenous/rural communities.
Max ERC Funding
1 952 183 €
Duration
Start date: 2016-11-01, End date: 2021-10-31
Project acronym InPairs
Project In Silico Pair Plasmas: from ultra intense lasers to relativistic astrophysics in the laboratory
Researcher (PI) Luís Miguel DE OLIVEIRA E SILVA
Host Institution (HI) INSTITUTO SUPERIOR TECNICO
Call Details Advanced Grant (AdG), PE2, ERC-2015-AdG
Summary How do extreme electromagnetic fields modify the dynamics of matter? Will quantum electrodynamics effects be important at the focus of an ultra intense laser? How are the magnetospheres of compact stellar remnants formed, and can we capture the physics of these environments in the laboratory? These are all longstanding questions with an overarching connection to extreme plasma physics.
Electron-positron pair plasmas are pervasive in all these scenarios. Highly nonlinear phenomena such as QED processes, magnetogenesis, radiation, field dynamics in complex geometries, and particle acceleration, are all linked with the collective dynamics of pair plasmas through mechanisms that remain poorly understood.
Building on our state-of-the-art models, on the availability of enormous computational power, and on our recent transformative discoveries on ab initio modelling of plasmas under extreme conditions, the time is ripe to answer these questions in silico. InPairs aims to understand the multidimensional dynamics of electron-positron plasmas under extreme laboratory and astrophysical fields, to determine the signatures of the radiative processes on pair plasmas, and to identify the physics of the magnetospheres of compact stellar remnants, focusing on the electrodynamics of pulsars, that can be mimicked in laboratory experiments using ultra high intensity lasers and charged particle beams.
This proposal relies on massively parallel simulations to bridge the gap, for the first time, between the pair plasma creation mechanisms, the collective multidimensional microphysics, and their global dynamics in complex geometries associated with laboratory and astrophysical systems. Emphasis will be given to detectable signatures e.g. radiation and accelerated particles, with the ultimate goal of solving some of the central questions in extreme plasma physics, thus opening new connections between computational studies, laboratory experiments, and relativistic plasma astrophysics.
Summary
How do extreme electromagnetic fields modify the dynamics of matter? Will quantum electrodynamics effects be important at the focus of an ultra intense laser? How are the magnetospheres of compact stellar remnants formed, and can we capture the physics of these environments in the laboratory? These are all longstanding questions with an overarching connection to extreme plasma physics.
Electron-positron pair plasmas are pervasive in all these scenarios. Highly nonlinear phenomena such as QED processes, magnetogenesis, radiation, field dynamics in complex geometries, and particle acceleration, are all linked with the collective dynamics of pair plasmas through mechanisms that remain poorly understood.
Building on our state-of-the-art models, on the availability of enormous computational power, and on our recent transformative discoveries on ab initio modelling of plasmas under extreme conditions, the time is ripe to answer these questions in silico. InPairs aims to understand the multidimensional dynamics of electron-positron plasmas under extreme laboratory and astrophysical fields, to determine the signatures of the radiative processes on pair plasmas, and to identify the physics of the magnetospheres of compact stellar remnants, focusing on the electrodynamics of pulsars, that can be mimicked in laboratory experiments using ultra high intensity lasers and charged particle beams.
This proposal relies on massively parallel simulations to bridge the gap, for the first time, between the pair plasma creation mechanisms, the collective multidimensional microphysics, and their global dynamics in complex geometries associated with laboratory and astrophysical systems. Emphasis will be given to detectable signatures e.g. radiation and accelerated particles, with the ultimate goal of solving some of the central questions in extreme plasma physics, thus opening new connections between computational studies, laboratory experiments, and relativistic plasma astrophysics.
Max ERC Funding
1 951 124 €
Duration
Start date: 2016-09-01, End date: 2021-08-31