CMOS-Integrated Film Bulk Acoustic Resonators for Label-Free Biosensing

The throughput is an important parameter for label-free biosensors. Acoustic resonators like the quartz crystal microbalance have a low throughput because the number of sensors which can be used at the same time is limited. Here we present an array of 64 CMOS-integrated film bulk acoustic resonators. We compare the performance with surface plasmon resonance and the quartz crystal microbalance and demonstrate the performance of the sensor for multiplexed detection of DNA

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calculations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of diabatization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully variational uncontracted spin-orbit MRCI, COLUMBUS provides a unique possibility of performing high-level calculations on compounds containing heavy atoms up to lanthanides and actinides. Crucial for carrying out all of these calculations effectively is the availability of an efficient parallel code for the CI step. Configuration spaces of several billion in size now can be treated quite routinely on standard parallel computer clusters. Emerging developments in COLUMBUS, including the all configuration mean energy multiconfiguration self-consistent field method and the graphically contracted function method, promise to allow practically unlimited configuration space dimensions. Spin density based on the GUGA approach, analytic spin-orbit energy gradients, possibilities for local electron correlation MR calculations, development of general interfaces for nonadiabatic dynamics, and MRCI linear vibronic coupling models conclude this overview

Dana Fleetham: Occupy Dayton Oral History Project

Kyle Pitzer interviewed Dana Fleetham on January 29th, 2014 about the Dayton manifestation of the Occupy Wall Street movement which began in New York City in late summer 2011. These demonstrations soon spread throughout the country with Dayton holding its first protest in early October, 2011. Fleetham discusses her personal life leading up to her involvement with the Occupy movement

QUANTUM MECHANICAL CALCULATIONS ON SOME OXIDES OF LITHIUM.

$^{1}$ R. C. Spiker, Jr. and L. Andrews, J. Chem. Phys. 58, 702 (1973); D. A. Hatzenbuhler and L. Andrews, J. Chem. Phys. 56, 3398 (1972); K. S. Seshadri, D. White, and D. E. Mann, J. Chem. Phys. 45, 4697 (1966); D. White, K. S. Seshadri, D. F. Dever, D. E. Mann, and M, J. Linevsky, J. Chem. Phys. 39, 2463 (1963). $^{2}$ E. L. Wagner, Teoret. Chim. Acta 32, 295 (1974); A. C. Wahl quoted in S, M, Freund, E, Herbst, R. P. Mariella, Jr., and W. Klemperer, J. Chem. Phys. 56, 1467 (1972).Author Institution: Department of Chemistry, The Ohio State UniversityAb initio self-consistent-field calculations using a large basis set have been carried out on the species $Li_{2}O, LiO,$ and $LiO_{2}$. The equilibrium geometries have been determined as well as vibrational frequencies For example, the species LiOLi was found to have a bond length of 1.62 {\AA} and have frequencies of $840 cm^{-1}$, $1092 cm^{-1}$ and $145 cm^{-1}$. LiLiO was found to have a Li-Li bond length of 3.29 {\AA} and a Li-O bond length of 1.73 {\AA}. LiLiO was also found to have a dipole moment of 11.4 D, and to have several very low lying electronic states. The bond length in LiO was found to be 1.71 {\AA} and ice vibrational frequency was calculated to be $830 cm^{-1}$. The results are compared to matrix infrared $spectra^{1}$ and other $calculations.^{2}

Article CMOS-Integrated Film Bulk Acoustic Resonators for

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