Project acronym BeStMo
Project Beyond Static Molecules: Modeling Quantum Fluctuations in Complex Molecular Environments
Researcher (PI) Alexandre TKATCHENKO
Host Institution (HI) UNIVERSITE DU LUXEMBOURG
Call Details Consolidator Grant (CoG), PE4, ERC-2016-COG
Summary We propose focused theory developments and applications, which aim to substantially advance our ability to model and understand the behavior of molecules in complex environments. From a large repertoire of possible environments, we have chosen to concentrate on experimentally-relevant situations, including molecular fluctuations in electric and optical fields, disordered molecular crystals, solvated (bio)molecules, and molecular interactions at/through low-dimensional nanostructures. A challenging aspect of modeling such realistic environments is that both molecular electronic and nuclear fluctuations have to be treated efficiently at a robust quantum-mechanical level of theory for systems with 1000s of atoms. In contrast, the current state of the art in the modeling of complex molecular systems typically consists of Newtonian molecular dynamics employing classical force fields. We will develop radically new approaches for electronic and nuclear fluctuations that unify concepts and merge techniques from quantum-mechanical many-body Hamiltonians, statistical mechanics, density-functional theory, and machine learning. Our developments will be benchmarked using experimental measurements with terahertz (THz) spectroscopy, atomic-force and scanning tunneling microscopy (AFM/STM), time-of-flight (TOF) measurements, and molecular interferometry.
Our final goal is to bridge the accuracy of quantum mechanics with the efficiency of force fields, enabling large-scale predictive quantum molecular dynamics simulations for complex systems containing 1000s of atoms, and leading to novel conceptual insights into quantum-mechanical fluctuations in large molecular systems. The project goes well beyond the presently possible applications and once successful will pave the road towards having a suite of first-principles-based modeling tools for a wide range of realistic materials, such as biomolecules, nanostructures, disordered solids, and organic/inorganic interfaces.
Summary
We propose focused theory developments and applications, which aim to substantially advance our ability to model and understand the behavior of molecules in complex environments. From a large repertoire of possible environments, we have chosen to concentrate on experimentally-relevant situations, including molecular fluctuations in electric and optical fields, disordered molecular crystals, solvated (bio)molecules, and molecular interactions at/through low-dimensional nanostructures. A challenging aspect of modeling such realistic environments is that both molecular electronic and nuclear fluctuations have to be treated efficiently at a robust quantum-mechanical level of theory for systems with 1000s of atoms. In contrast, the current state of the art in the modeling of complex molecular systems typically consists of Newtonian molecular dynamics employing classical force fields. We will develop radically new approaches for electronic and nuclear fluctuations that unify concepts and merge techniques from quantum-mechanical many-body Hamiltonians, statistical mechanics, density-functional theory, and machine learning. Our developments will be benchmarked using experimental measurements with terahertz (THz) spectroscopy, atomic-force and scanning tunneling microscopy (AFM/STM), time-of-flight (TOF) measurements, and molecular interferometry.
Our final goal is to bridge the accuracy of quantum mechanics with the efficiency of force fields, enabling large-scale predictive quantum molecular dynamics simulations for complex systems containing 1000s of atoms, and leading to novel conceptual insights into quantum-mechanical fluctuations in large molecular systems. The project goes well beyond the presently possible applications and once successful will pave the road towards having a suite of first-principles-based modeling tools for a wide range of realistic materials, such as biomolecules, nanostructures, disordered solids, and organic/inorganic interfaces.
Max ERC Funding
1 811 650 €
Duration
Start date: 2017-03-01, End date: 2022-02-28
Project acronym BLAST
Project Eclipsing binary stars as cutting edge laboratories for astrophysics of stellar
structure, stellar evolution and planet formation
Researcher (PI) Maciej Konacki
Host Institution (HI) CENTRUM ASTRONOMICZNE IM. MIKOLAJAKOPERNIKA POLSKIEJ AKADEMII NAUK
Call Details Starting Grant (StG), PE9, ERC-2010-StG_20091028
Summary Spectroscopic binary stars (SB2s) and in particular spectroscopic eclipsing binaries are one of the most useful objects in astrophysics. Their photometric and spectroscopic observations allow one to determine basic parameters of stars and carry out a wide range of tests of stellar structure, evolution and dynamics. Perhaps somewhat surprisingly, they can also contribute to our understanding of the formation and evolution of (extrasolar) planets. We will study eclipsing binary stars by combining the classic - stellar astronomy - and the modern - extrasolar planets - subjects into a cutting edge project.
We propose to search for and subsequently characterize circumbinary planets around ~350 eclipsing SB2s using our own novel cutting edge radial velocity technique for binary stars and a modern version of the photometry based eclipse timing of eclipsing binary stars employing 0.5-m robotic telescopes. We will also derive basic parameters of up to ~700 stars (~350 binaries) with an unprecedented precision. In particular for about 50% of our sample we expect to deliver masses of the components with an accuracy ~10-100 times better than the current state of the art.
Our project will provide unique constraints for the theories of planet formation and evolution and an unprecedented in quality set of the basic parameters of stars to test the theories of the stellar structure and evolution.
Summary
Spectroscopic binary stars (SB2s) and in particular spectroscopic eclipsing binaries are one of the most useful objects in astrophysics. Their photometric and spectroscopic observations allow one to determine basic parameters of stars and carry out a wide range of tests of stellar structure, evolution and dynamics. Perhaps somewhat surprisingly, they can also contribute to our understanding of the formation and evolution of (extrasolar) planets. We will study eclipsing binary stars by combining the classic - stellar astronomy - and the modern - extrasolar planets - subjects into a cutting edge project.
We propose to search for and subsequently characterize circumbinary planets around ~350 eclipsing SB2s using our own novel cutting edge radial velocity technique for binary stars and a modern version of the photometry based eclipse timing of eclipsing binary stars employing 0.5-m robotic telescopes. We will also derive basic parameters of up to ~700 stars (~350 binaries) with an unprecedented precision. In particular for about 50% of our sample we expect to deliver masses of the components with an accuracy ~10-100 times better than the current state of the art.
Our project will provide unique constraints for the theories of planet formation and evolution and an unprecedented in quality set of the basic parameters of stars to test the theories of the stellar structure and evolution.
Max ERC Funding
1 500 000 €
Duration
Start date: 2010-12-01, End date: 2016-11-30
Project acronym CepBin
Project A sub-percent distance scale from binaries and Cepheids
Researcher (PI) Grzegorz PIETRZYNSKI
Host Institution (HI) CENTRUM ASTRONOMICZNE IM. MIKOLAJAKOPERNIKA POLSKIEJ AKADEMII NAUK
Call Details Advanced Grant (AdG), PE9, ERC-2015-AdG
Summary We propose to carry out a project which will produce a decisive step towards improving the accuracy of the Hubble constant as determined from the Cepheid-SN Ia method to 1%, by using 28 extremely rare eclipsing binary systems in the LMC which offer the potential to determine their distances to 1%. To achieve this accuracy we will reduce the main error in the binary method by interferometric angular diameter measurements of a sample of red clump stars which resemble the stars in our binary systems. We will check on our calibration with similar binary systems close enough to determine their orbits from interferometry. We already showed the feasibility of our method which yielded the best-ever distance determination to the LMC of 2.2% from 8 such binary systems. With 28 systems and the improved angular diameter calibration we will push the LMC distance uncertainty down to 1% which will allow to set the zero point of the Cepheid PL relation with the same accuracy using the large available LMC Cepheid sample. We will determine the metallicity effect on Cepheid luminosities by a) determining a 2% distance to the more metal-poor SMC with our binary method, and by b) measuring the distances to LMC and SMC with an improved Baade-Wesselink (BW) method. We will achieve this improvement by analyzing 9 unique Cepheids in eclipsing binaries in the LMC our group has discovered which allow factor- of-ten improvements in the determination of all basic physical parameters of Cepheids. These studies will also increase our confidence in the Cepheid-based H0 determination. Our project bears strong synergy to the Gaia mission by providing the best checks on possible systematic uncertainties on Gaia parallaxes with 200 binary systems whose distances we will measure to 1-2%. We will provide two unique tools for 1-3 % distance determinations to individual objects in a volume of 1 Mpc, being competitive to Gaia already at a distance of 1 kpc from the Sun.
Summary
We propose to carry out a project which will produce a decisive step towards improving the accuracy of the Hubble constant as determined from the Cepheid-SN Ia method to 1%, by using 28 extremely rare eclipsing binary systems in the LMC which offer the potential to determine their distances to 1%. To achieve this accuracy we will reduce the main error in the binary method by interferometric angular diameter measurements of a sample of red clump stars which resemble the stars in our binary systems. We will check on our calibration with similar binary systems close enough to determine their orbits from interferometry. We already showed the feasibility of our method which yielded the best-ever distance determination to the LMC of 2.2% from 8 such binary systems. With 28 systems and the improved angular diameter calibration we will push the LMC distance uncertainty down to 1% which will allow to set the zero point of the Cepheid PL relation with the same accuracy using the large available LMC Cepheid sample. We will determine the metallicity effect on Cepheid luminosities by a) determining a 2% distance to the more metal-poor SMC with our binary method, and by b) measuring the distances to LMC and SMC with an improved Baade-Wesselink (BW) method. We will achieve this improvement by analyzing 9 unique Cepheids in eclipsing binaries in the LMC our group has discovered which allow factor- of-ten improvements in the determination of all basic physical parameters of Cepheids. These studies will also increase our confidence in the Cepheid-based H0 determination. Our project bears strong synergy to the Gaia mission by providing the best checks on possible systematic uncertainties on Gaia parallaxes with 200 binary systems whose distances we will measure to 1-2%. We will provide two unique tools for 1-3 % distance determinations to individual objects in a volume of 1 Mpc, being competitive to Gaia already at a distance of 1 kpc from the Sun.
Max ERC Funding
2 360 500 €
Duration
Start date: 2016-11-01, End date: 2021-10-31
Project acronym microCODE
Project Microfluidic Combinatorial On Demand Systems: a Platform for High-Throughput Screening in Chemistry and Biotechnology
Researcher (PI) Piotr Garstecki
Host Institution (HI) INSTYTUT CHEMII FIZYCZNEJ POLSKIEJ AKADEMII NAUK
Call Details Starting Grant (StG), PE4, ERC-2011-StG_20101014
Summary This proposal addresses an important opportunity in the rapidly developing art of microfluidics. On one hand vast expertise is available on automation of single phase flows via microvalves or electrokinetics and on flow of drops on planar electrodes. These systems are perfectly suited for a range of applications but are inherently inefficient in handling massively large numbers of processes due to correspondingly large number of input/output controls that at best scales logarithmically in the number of processes. On the other hand conducting reactions in thousands micro droplets embodies many of the most acclaimed promises of microfluidics – ultra-miniaturisation, speed, rapid mixing and extensive control of physical conditions. Demonstrations of incubation of cells, in-vitro translation and directed evolution confirm that these techniques can reduce the cost and time of existing processes by orders of magnitude. Droplet microfluidics is at the moment, however, almost (except sorting) completely passive.
We recently demonstrated the use of external valves to automate formation and motion of droplets on simple disposable chips and screening up to 10000 compositions per hour. We propose to develop externally controlled programmable modules for i) multiplexed, on-demand generation of multiple emulsions, ii) aspiration of libraries of samples and multiplexing linear libraries into full cross matrices, iii) splitting drops into two, few and large numbers (e.g. 10000) drops, iv) optical monitoring of presence and content of droplets, v) counting cells inside the drops, vi) circulating drops, vii) titration, viii) holding paramagnetic beads in drops. Our design rules will allow to integrate these modules into externally controlled systems for research on i) combinatorial synthesis, ii) material science, iii) role of noise in metabolic networks, iv) evolution of bacteria, v) inexpensive multiplexed diagnostics systems, including cytometry, PCR and ELISA assays in drops.
Summary
This proposal addresses an important opportunity in the rapidly developing art of microfluidics. On one hand vast expertise is available on automation of single phase flows via microvalves or electrokinetics and on flow of drops on planar electrodes. These systems are perfectly suited for a range of applications but are inherently inefficient in handling massively large numbers of processes due to correspondingly large number of input/output controls that at best scales logarithmically in the number of processes. On the other hand conducting reactions in thousands micro droplets embodies many of the most acclaimed promises of microfluidics – ultra-miniaturisation, speed, rapid mixing and extensive control of physical conditions. Demonstrations of incubation of cells, in-vitro translation and directed evolution confirm that these techniques can reduce the cost and time of existing processes by orders of magnitude. Droplet microfluidics is at the moment, however, almost (except sorting) completely passive.
We recently demonstrated the use of external valves to automate formation and motion of droplets on simple disposable chips and screening up to 10000 compositions per hour. We propose to develop externally controlled programmable modules for i) multiplexed, on-demand generation of multiple emulsions, ii) aspiration of libraries of samples and multiplexing linear libraries into full cross matrices, iii) splitting drops into two, few and large numbers (e.g. 10000) drops, iv) optical monitoring of presence and content of droplets, v) counting cells inside the drops, vi) circulating drops, vii) titration, viii) holding paramagnetic beads in drops. Our design rules will allow to integrate these modules into externally controlled systems for research on i) combinatorial synthesis, ii) material science, iii) role of noise in metabolic networks, iv) evolution of bacteria, v) inexpensive multiplexed diagnostics systems, including cytometry, PCR and ELISA assays in drops.
Max ERC Funding
1 749 600 €
Duration
Start date: 2012-01-01, End date: 2016-12-31
Project acronym OGLEIV
Project Optical Gravitational Lensing Experiment: New Frontiers in Observational Astronomy
Researcher (PI) Andrzej Udalski
Host Institution (HI) UNIWERSYTET WARSZAWSKI
Call Details Advanced Grant (AdG), PE9, ERC-2009-AdG
Summary We apply for financial support for the new, fourth phase of the Optical Gravitational Lensing Experiment (OGLE-IV) - one of the largest scale sky surveys worldwide, operating continuously since 1992. During its operation the OGLE project contributed significantly to many fields of modern astrophysics including gravitational microlensing, extrasolar planets searches, stellar astrophysics, Galactic structure and many others. The main scientific goal of the OGLE-IV phase will be the second generation planetary microlensing survey. It should result in top rank discoveries of the Earth mass planets and should provide the full census of planets down to Earth masses orbiting their hosts at 1-5 AU orbits. This parameter space is only accessible to the microlensing technique. Complementary census of planets orbiting at the distances smaller that 1 AU is to be made by space missions using transit technique. OGLE-IV survey will also conduct research in many other top rank astrophysical topics like the search for Pluto size dwarf planets from the Kuiper Belt, search for free-floating black holes, microlensing in the Magellanic Clouds and Galactic disk. Hundreds of new discoveries in the variable star field are also guaranteed. Moreover, OGLE-IV will operate on-line services providing real time photometry of variable objects of many types. The OGLE-IV data will be placed in public domain and available to the astronomical community.
Summary
We apply for financial support for the new, fourth phase of the Optical Gravitational Lensing Experiment (OGLE-IV) - one of the largest scale sky surveys worldwide, operating continuously since 1992. During its operation the OGLE project contributed significantly to many fields of modern astrophysics including gravitational microlensing, extrasolar planets searches, stellar astrophysics, Galactic structure and many others. The main scientific goal of the OGLE-IV phase will be the second generation planetary microlensing survey. It should result in top rank discoveries of the Earth mass planets and should provide the full census of planets down to Earth masses orbiting their hosts at 1-5 AU orbits. This parameter space is only accessible to the microlensing technique. Complementary census of planets orbiting at the distances smaller that 1 AU is to be made by space missions using transit technique. OGLE-IV survey will also conduct research in many other top rank astrophysical topics like the search for Pluto size dwarf planets from the Kuiper Belt, search for free-floating black holes, microlensing in the Magellanic Clouds and Galactic disk. Hundreds of new discoveries in the variable star field are also guaranteed. Moreover, OGLE-IV will operate on-line services providing real time photometry of variable objects of many types. The OGLE-IV data will be placed in public domain and available to the astronomical community.
Max ERC Funding
2 498 000 €
Duration
Start date: 2010-01-01, End date: 2014-12-31
