Jurek Becker: Five Stories

David Rock, ed. New York: St. Martin\u27s Press, 1993. 168 p

Jurek Becker: Jacob the Liar

Leila Vennewitz, trans. New York: Arcade Publishing, 1996. 244 p

Susan M. Johnson: The Works of Jurek Becker: A Thematic Analysis

New York: Peter Lang, 1988. 214 p

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.Comment: 28 pages, 5 figure

Real single ion solvation free energies with quantum mechanical simulation

Single ion solvation free energies are one of the most important properties of electrolyte solutions and yet there is ongoing debate about what these values are. Only the values for neutral ion pairs are known. Here, we use DFT interaction potentials with molecular dynamics simulation (DFT-MD) combined with a modified version of the quasi-chemical theory (QCT) to calculate these energies for the lithium and fluoride ions. A method to correct for the error in the DFT functional is developed and very good agreement with the experimental value for the lithium fluoride pair is obtained. Moreover, this method partitions the energies into physically intuitive terms such as surface potential, cavity and charging energies which are amenable to descriptions with reduced models. Our research suggests that lithium's solvation free energy is dominated by the free energetics of a charged hard sphere, whereas fluoride exhibits significant quantum mechanical behavior that cannot be simply described with a reduced model.Comment: 13 pages, 4 figure

Mass Density Fluctuations in Quantum and Classical descriptions of Liquid Water

First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe properties of water at ambient conditions. This study also demonstrates the consistency of the structure of water across both isobaric (NpT) and isothermal (NVT) ensembles. Going beyond the standard structural benchmarks for liquid water, we compute properties that are connected to both local structure and mass density uctuations that are related to concepts of solvation and hydrophobicity. We directly compare our revPBE results to the Becke-Lee-Yang-Parr (BLYP) plus Grimme dispersion corrections (D2) and both the empirical fixed charged model (SPC/E) and many body interaction potential model (MB-pol) to further our understanding of how the computed properties herein depend on the form of the interaction potential

Naturalness, Supersymmetry and Implications for LHC and Dark Matter

It is shown that the Hyperbolic Branch of the radiative electroweak symmetry breaking contains in it three regions: the Focal Point, Focal Curves, and Focal Surfaces. Further, the Focal Point is shown to lie on the boundary of a Focal Curve. These focal regions allow for a small $\mu$ while scalar masses can become large and may lie in the several TeV region. It is shown that for the mSUGRA model the current LHC-7 constraint depletes the Focal Point region while regions on Focal Curves and Focal Surfaces remain largely intact. The LHC implications for models which lie on Focal Curves are briefly discussed as well as the implications of dark matter constraints for the Focal Point, Focal Curves and Focal Surfaces are discussed.Comment: 10 pages, 8 figure

How Do We Combat Bogus Medicines in the Age of the COVID-19 Pandemic?

The COVID-19 pandemic has brought concurrent challenges. The increased incidence of fake and falsified product distribution is one of these problems with tremendous impact, especially in low- and middle-income countries. Up to a tenth of medicines including antibiotics and antimalarial drugs in the African market are considered falsified. Pandemics make this worse by creating an ecosystem of confusion, distraction, and vulnerability stemming from the pandemic as health systems become more stressed and the workload of individuals increased. These environments create opportunities for substandard and falsified medicines to be more easily introduced into the marketplace by unscrupulous operators. In this work, we discussed some of the challenges with fake or falsified product distribution in the context of COVID-19 and proposed strategies to best manage this problem

Interpreting the First CMS and ATLAS SUSY Results

The CMS and the ATLAS Collaborations have recently reported on the search for supersymmetry with 35 pb$^{-1}$ of data and have put independent limits on the parameter space of the supergravity unified model with universal boundary conditions at the GUT scale for soft breaking, i.e., the mSUGRA model. We extend this study by examining other regions of the mSUGRA parameter space in $A_0$ and $\tan\beta$. Further, we contrast the reach of CMS and ATLAS with 35 pb$^{-1}$ of data with the indirect constraints, i.e., the constraints from the Higgs boson mass limits, from flavor physics and from the dark matter limits from WMAP. Specifically it is found that a significant part of the parameter space excluded by CMS and ATLAS is essentially already excluded by the indirect constraints and the fertile region of parameter space has yet to be explored. We also emphasize that gluino masses as low as 400 GeV but for squark masses much larger than the gluino mass remain unconstrained and further that much of the hyperbolic branch of radiative electroweak symmetry breaking, with low values of the Higgs mixing parameter $\mu$, is essentially untouched by the recent LHC analysis.Comment: 3 figure panels, 10 plot