Methods for variational computation of molecular properties on near term quantum computers

In this thesis we explore the near term applications of quantum computing to Quantum Chemistry problems, with a focus on electronic structure calculations. We begin by discussing the core subroutine of near-term quantum computing methods: the variational quantum eigensolver (VQE). By drawing upon the literature, we discuss the relevance of the method in computing electronic structure properties, compare it to alternative conventional or quantum methods and outline best practices. We then discuss the key limitations of this method, namely: the exploding number of measurements required, showing that parallelisation will be relevant for VQE to compete with conventional methods; the barren plateau problem; and the management of errors through error mitigation - we present a light touch error mitigation technique which is used to improve the results of experiments presented later in the thesis. From this point, we propose three methods for near term applications of quantum computing, with a focus on limiting the requirements on quantum resources. The first two methods concern the computation of ground state energy. We adapt the conventional methods of complete active space self consistent field (CASSCF) and energy-weighted density matrix embedding theory (EwDMET) by integrating a VQE subroutine to compute the electronic wavefunctions from which reduced density matrices are sampled. These method allow recovering additional electron correlation energy for a given number of qubits and are tested on quantum devices. The last method is focused on computing excited electronic states and uses techniques inspired from the generative adversarial machine learning literature. It is a fully variational method, which is shown to work on current quantum devices

Review Essay : Peeping Through the Windows of the WealthyFREDERIC COPLE JAHER, ed. The Rich, the Well Born, and the Powerful: Elites and Upper Classes in History. Urbana: University of Illinois Press, 1973. Pp. 379, tables, bibliography. $15.00. EDWARD PESSEN. Riches, Class, and Power Before the Civil War. Lexington, Mass.; Toronto; London: D.C. Heath and Company, 1973. Pp. 378, tables, maps, illus., appendices, bibliography, index

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/68747/2/10.1177_009614427600300103.pd

AUTOMATIC TEST GENERATION BASED ON CONSTRAINTS

It seems to be a very hard task to enhance the properties of widespreadly used automatic test pattern generation algorithms. Experiences show that achievements are sometimes not worth the effort. In the authors' opinion this fact stems from the basically 'algorithm oriented' nature of research made in the past. A new experimental framework is presented for the problem, considering network representation and search control algorithms as equally important parts. The network is represented by object- oriented data-flow networks, the search control algorithm is based on constraint satisfaction, and a special kind of dependency directed backtracking which we call constraint slackening. Similar methods were proved to be very useful in automatic system diagnosis by DAVIS (1985) and others, although have not been introduced to testing yet. This paper summarises the basic notions of constraint satisfaction, the potential advantages of using it for building test generation systems, and shows implementational details of a test generation system, based on constraints. Experiences of the run-time tests show that constraint-based test generation can be highly efficient

Kajian Undang-Undang Nomor 36 Tahun 2009 Tentang Kesehatan dan Peraturan Perundangundangan Lain Terkait Hak Kesehatan Reproduksi dan Keluarga Berencana (Review Of Law No. 36 Year 2009 Concerning The Regulation Of Health And Other Legislation Related To Re

Background: Law No. 36 in the year of 2009 consists of reproductive health and family planning has been exist. Thestudy is aimed to elucidate the regulation on human right issues. Method: It was an applied study to obtain operationalprogram and review of relevant law and regulation. Data were collected by observation and interviews with offi cials offamily planning services in primary health centers in Malang Municipality, East Java Province and Sampit District, Centerof Kalimantan. Discussions with stakeholders to review the Law No. 36 of 2009 associated with results of the issues.Results: It concludes that health service performed at family planning clinic still did not meet quality of services as expected,specially providing information and counseling contains the patient rights on reproductive health and family planning (therights and obligations of governments, local governments, health professionals and other skilled personnel and community participants of Family Planning), article 71, 72, 73, 74, 78 in Law 36 years of Health in 2009. Conclusions: The formulation of regulations to Law No. 36 of Health and other relevant government regulations on reproductive health and family planning is ideal, but the application still has not fully complied. Recommendations: Health service quality should be improved to provide counseling services in addition to enhance awareness about the rights and obligations to health personels and clients by socialization the Law 36 of 2009. Furthermore, it suggests to reevaluate the Health Act after a period of 5 yearto assess the effectiveness of implementation in the next 3 years with the expectations the family planning program hasbeen socialized in accordance with Law No. 36 of 2009 to providers and clients

Thermodynamics of Heat Shock Response

Production of heat shock proteins are induced when a living cell is exposed to a rise in temperature. The heat shock response of protein DnaK synthesis in E.coli for temperature shifts from temperature T to T plus 7 degrees, respectively to T minus 7 degrees is measured as function of the initial temperature T. We observe a reversed heat shock at low T. The magnitude of the shock increases when one increase the distance to the temperature $T_0 \approx 23^o$, thereby mimicking the non monotous stability of proteins at low temperature. Further we found that the variation of the heat shock with T quantitatively follows the thermodynamic stability of proteins with temperature. This suggest that stability related to hot as well as cold unfolding of proteins is directly implemented in the biological control of protein folding. We demonstrate that such an implementation is possible in a minimalistic chemical network.Comment: To be published in Physical Review Letter

Equation of Motion for a Spin Vortex and Geometric Force

The Hamiltonian equation of motion is studied for a vortex occuring in 2-dimensional Heisenberg ferromagnet of anisotropic type by starting with the effective action for the spin field formulated by the Bloch (or spin) coherent state. The resultant equation shows the existence of a geometric force that is analogous to the so-called Magnus force in superfluid. This specific force plays a significant role for a quantum dynamics for a single vortex, e.g, the determination of the bound state of the vortex trapped by a pinning force arising from the interaction of the vortex with an impurity.Comment: 13 pages, plain te

Clam survival in chlorinated water

Applications of 10 to 40 ppM chlorine were ineffective in control of Asiatic clams that had colonized the suction well of a cooling water pump for one of the Savannah River production reactors. Accumulated mud on the floors and walls of the basin protected large numbers of clams from lethal chlorine exposures. After clams were removed from chlorine exposures of 9, 17, 25, and 54 hours, respective survivals after seven days in a recovery chamber were 97 percent, 84 percent, 47 percent, and 10 percent. Of the clams that were protected by mud during the entire test (54 hours), 65 percent were alive after seven days in the recovery chamber. (auth