Henriette Elise Breymann | Zurich University of Applied Sciences (original) (raw)
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Papers by Henriette Elise Breymann
Zeitschrift für Naturforschung, Jun 1, 1993
Physikalische Blätter, 1998
Journal of Chemical Physics, Sep 1, 1989
A molecular dynamics simulation of a realistic model of neopentane [C(CH3)4] in its plastic phase... more A molecular dynamics simulation of a realistic model of neopentane [C(CH3)4] in its plastic phase has been performed on a sample of 6×6×6 fcc unit cells (i.e., 864 molecules) at 135, 175, and 230 K. The molecules of the simulated sample interact through phenomenological exp-6, atom–atom potentials between all the atoms of nearest neighbor molecules. The orientational probability density function (opdf), the displacement probability density function (dpdf), and its second moment the Debye–Waller factor have been computed. We confirm the very large value and the important thermal variation of the Debye–Waller factor and the strong anisotropy of the opdf deduced from neutron diffraction experiments. The computed opdf is very well reproduced by a mean-field calculation making use only of the microscopic intermolecular potential and of the equilibrium position of the molecular centers of mass, a result in line with the isotropic character of the dpdf, but not valid for other plastic crystals made of molecules with different geometries.
The School of Engineering of Zurich University of Applied Sciences has approved a credit for 2013... more The School of Engineering of Zurich University of Applied Sciences has approved a credit for 2013 for the build-up of a prototype-modeling platform for integrated financial and risk modeling. At the same time the project ACTUS (Algorithmic Contract Types Unified Standard) started, which is financed by the Alfred P. Sloan Foundation and situated at the Stevens Institute of Technology in New York. The aim of this project is the development of a standard language for financial contract modeling and contract-centric analytical framework. At the basis of both projects is the same concept, namely the UFA methodology, which implies a considerable synergy potential. The central element of the model is the financial contract, which is modeled in an environment of market risk factors, counterparties risk factors and behavioral risk factors. The strict separation of financial contracts from risk factors is an important architectural choice. A financial contract is represented as the algorithmic counterpart of the legal rules making up the “real” financial contract. These rules are deterministic, in contrast to the stochastic risk factors. Together, contracts and risk factors make up the input factors. Given a state of all risk factors, contract events can be generated through the CT specific algorithms, from which the cash flow streams are derived. The cash flows are subject to various kind of analysis as to liquidity, value, income, sensitivity, and risk. The separation of contracts and risk factors make it possible to open up the system for third-party contributions of risk factor models while contract modeling can be encapsulated and possibly certified. In the talk an introduction into the methodology as well as an overview of the actual state of the project will be given, including a web-demo
Molecular Physics, Apr 10, 1996
ABSTRACT The dynamics of orientationally disordered crystals, such as neopentane C(CH3)4, couple ... more ABSTRACT The dynamics of orientationally disordered crystals, such as neopentane C(CH3)4, couple translational and orientational variables in a complex way. From the results of a molecular dynamics simulation of the orientationally disordered phase of neopentane, simple geometrical methods are used to define functions that can be displayed on a two-dimensional surface and yield practical information, and from these are obtained the single-molecule orientation-translation coupling, the coupling between the translation of a molecule and the orientation of one of its neighbours, and the orientation-orientation coupling of two neighbouring molecules. The single-molecule orientation-translation term, although weak, is consistent with experimental results. A distinct orientation-orientation coupling is visible when a C-C bond of one molecule points at a neighbouring molecule, while a bond of that neighbour points away from the former. Isotropy around the connecting vector tends to disqualify pseudospin-type models for neopentane. The most salient feature, however, is the strong two-molecule orientation-translation correlation, which confirms the motion of one molecule when a C-C bond of one of its neighbours points in its direction; up to now this was only inferred from partial experimental data. Predictions are made for the type of information that is likely to be obtained from neutron diffuse scattering.
European Physical Journal B, Oct 1, 2009
Physica D: Nonlinear Phenomena, 2004
Canadian Journal of Chemistry, Apr 1, 1988
A method to confront computer simulations to real nature is reported. "Experimental" re... more A method to confront computer simulations to real nature is reported. "Experimental" results calculated from the simulation are analyzed through the same model as the actual experiments. The same terms are thus used to describe the simulated and the real sample; they can then be compared, with some reliability, to one another and also to the corresponding quantities obtained directly from the microscopic information provided by the simulation. The method is applied to neutron diffraction experiments performed on orientationally disordered neopentane (C(CD3)4) single crystals, a system for which a realistic molecular dynamics simulation has also been performed. Our method turns out to be a severe test both for the simulation and the models used to interpret the experiments.
Physical review, May 1, 1993
Physical review, Sep 1, 1994
Physical review, Aug 1, 1998
Physical Review Letters, Sep 30, 1996
Physical Review Letters, Oct 13, 1997
Zeitschrift für Naturforschung, Jun 1, 1993
Physikalische Blätter, 1998
Journal of Chemical Physics, Sep 1, 1989
A molecular dynamics simulation of a realistic model of neopentane [C(CH3)4] in its plastic phase... more A molecular dynamics simulation of a realistic model of neopentane [C(CH3)4] in its plastic phase has been performed on a sample of 6×6×6 fcc unit cells (i.e., 864 molecules) at 135, 175, and 230 K. The molecules of the simulated sample interact through phenomenological exp-6, atom–atom potentials between all the atoms of nearest neighbor molecules. The orientational probability density function (opdf), the displacement probability density function (dpdf), and its second moment the Debye–Waller factor have been computed. We confirm the very large value and the important thermal variation of the Debye–Waller factor and the strong anisotropy of the opdf deduced from neutron diffraction experiments. The computed opdf is very well reproduced by a mean-field calculation making use only of the microscopic intermolecular potential and of the equilibrium position of the molecular centers of mass, a result in line with the isotropic character of the dpdf, but not valid for other plastic crystals made of molecules with different geometries.
The School of Engineering of Zurich University of Applied Sciences has approved a credit for 2013... more The School of Engineering of Zurich University of Applied Sciences has approved a credit for 2013 for the build-up of a prototype-modeling platform for integrated financial and risk modeling. At the same time the project ACTUS (Algorithmic Contract Types Unified Standard) started, which is financed by the Alfred P. Sloan Foundation and situated at the Stevens Institute of Technology in New York. The aim of this project is the development of a standard language for financial contract modeling and contract-centric analytical framework. At the basis of both projects is the same concept, namely the UFA methodology, which implies a considerable synergy potential. The central element of the model is the financial contract, which is modeled in an environment of market risk factors, counterparties risk factors and behavioral risk factors. The strict separation of financial contracts from risk factors is an important architectural choice. A financial contract is represented as the algorithmic counterpart of the legal rules making up the “real” financial contract. These rules are deterministic, in contrast to the stochastic risk factors. Together, contracts and risk factors make up the input factors. Given a state of all risk factors, contract events can be generated through the CT specific algorithms, from which the cash flow streams are derived. The cash flows are subject to various kind of analysis as to liquidity, value, income, sensitivity, and risk. The separation of contracts and risk factors make it possible to open up the system for third-party contributions of risk factor models while contract modeling can be encapsulated and possibly certified. In the talk an introduction into the methodology as well as an overview of the actual state of the project will be given, including a web-demo
Molecular Physics, Apr 10, 1996
ABSTRACT The dynamics of orientationally disordered crystals, such as neopentane C(CH3)4, couple ... more ABSTRACT The dynamics of orientationally disordered crystals, such as neopentane C(CH3)4, couple translational and orientational variables in a complex way. From the results of a molecular dynamics simulation of the orientationally disordered phase of neopentane, simple geometrical methods are used to define functions that can be displayed on a two-dimensional surface and yield practical information, and from these are obtained the single-molecule orientation-translation coupling, the coupling between the translation of a molecule and the orientation of one of its neighbours, and the orientation-orientation coupling of two neighbouring molecules. The single-molecule orientation-translation term, although weak, is consistent with experimental results. A distinct orientation-orientation coupling is visible when a C-C bond of one molecule points at a neighbouring molecule, while a bond of that neighbour points away from the former. Isotropy around the connecting vector tends to disqualify pseudospin-type models for neopentane. The most salient feature, however, is the strong two-molecule orientation-translation correlation, which confirms the motion of one molecule when a C-C bond of one of its neighbours points in its direction; up to now this was only inferred from partial experimental data. Predictions are made for the type of information that is likely to be obtained from neutron diffuse scattering.
European Physical Journal B, Oct 1, 2009
Physica D: Nonlinear Phenomena, 2004
Canadian Journal of Chemistry, Apr 1, 1988
A method to confront computer simulations to real nature is reported. "Experimental" re... more A method to confront computer simulations to real nature is reported. "Experimental" results calculated from the simulation are analyzed through the same model as the actual experiments. The same terms are thus used to describe the simulated and the real sample; they can then be compared, with some reliability, to one another and also to the corresponding quantities obtained directly from the microscopic information provided by the simulation. The method is applied to neutron diffraction experiments performed on orientationally disordered neopentane (C(CD3)4) single crystals, a system for which a realistic molecular dynamics simulation has also been performed. Our method turns out to be a severe test both for the simulation and the models used to interpret the experiments.
Physical review, May 1, 1993
Physical review, Sep 1, 1994
Physical review, Aug 1, 1998
Physical Review Letters, Sep 30, 1996
Physical Review Letters, Oct 13, 1997
The Journal of Risk Finance, 2018
Financial institutions (FIs) are remunerated for managing financial risks attached to project fin... more Financial institutions (FIs) are remunerated for managing financial risks attached to project financing they organize. As a result, they have little interest to share internally generated risk data, or, for that matter, increase the technological capacity to share such data. However, at current levels of interconnectedness this lack of interoperable data further adds to already elevated levels of systemic risk. Against this background, it is all the more critical that supervisors receive data in a timely manner and in an adequate format. In this context, the present RegTech approach to financial risk monitoring and supervisory reporting is the first integration of algorithmic financial data standards with blockchain functionality. The result is a transformation of supervisors' capacity to monitor risk in the financial system based on data, which preserves informational content of financial instruments at the most granular level in combination with a mathematically robust time stamping approach using blockchain technology. At the same time, on the side of regulated FIs, the RegTech approach has the potential to contain operational risk linked to inadequate handling of risk data and to rein in compliance cost of supervisory reporting.