655 research outputs found

    The Idea of God in 20th Century Philosophy

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    What a hodge-podge! What god-makers our 20th century philosophers are! When revealed religion is condemned to the rubbish heap and modem philosophes relie solely upon their intellect, senses, experiences, nature, etc., what unimaginable and ofttimes unintelligible ideas of God do they not create for themselves. We are inclined to exclaim with Pyrrho, who lived 365 before the time of Christ or twenty years after the birth of Aristotle, ā€œThere are no two schools of philosophy that agree upon the essential problems. Speculation brings us only trouble and uncertainty and involves us in endless contradiction. Abandon barren speculation and - instead of the suggestion of Pyrrho, to 0bey the laws of nature - let us study the revealed word of God, which is not speculative but positive, affording the greatest comfort and peace of mind to those who study its glad tidingsā€ in the proper spirit

    Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method acceleration

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    Due to their improved accuracy, double-hybrid density functionals emerged as an important method for molecular electronic-structure calculations. The high computational costs of double-hybrid calculations in the condensed phase and the lack of efficient gradient implementations thereof inhibit a wide applicability for periodic systems. We present an implementation of forces and stress tensors for double-hybrid density functionals within the Gaussian and plane-waves electronic structure framework. The auxiliary density matrix method is used to reduce the overhead of the Hartreeā€“Fock kernel providing an efficient and accurate methodology to tackle condensed phase systems. First applications to water systems of different densities and molecular crystals show the efficiency of the implementation and pave the way for advanced studies. Finally, we present large benchmark systems to discuss the performance of our implementation on modern large-scale computers

    Timeless Growth Principles from the Movement of Hans Nielsen Hauge: A Case Study in Pietism

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    As existing churches continually face the challenge of staying relevant, and new churches face the challenge of establishing traction in the first place, a fresh look at the dynamics of movements will help both. While large, existing churches can often operate from an institutional focus, new and growing churches have to operate from a movement focus. Declining churches need to recapture the dynamism that helped them come into being in the first place. In order to break free from the status quo a new catalyst must be inserted into the equation in order to move forward to the next level. This article explores one such catalyst from a historical case study and reflects on its timeless church growth principles

    Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene

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    The Random-Phase approximation (RPA) provides an appealing framework for semi-local density functional theory. In its Resolution-of-the-Identity (RI) approach, it is a very accurate and more cost-effective method than most other wavefunction-based correlation methods. For widespread applications, efficient implementations of nuclear gradients for structure optimizations and data sampling of machine learning approaches are required. We report a well scaling implementation of RI-RPA nuclear gradients on massively parallel computers. The approach is applied to two polymorphs of the benzene crystal obtaining very good cohesive and relative energies. Different correction and extrapolation schemes are investigated for further improvement of the results and estimations of error bars

    Timeless Growth Principles from the Movement of Hans Nielsen Hauge: A Case Study in Pietism

    Get PDF
    As existing churches continually face the challenge of staying relevant, and new churches face the challenge of establishing traction in the first place, a fresh look at the dynamics of movements will help both. While large, existing churches can often operate from an institutional focus, new and growing churches have to operate from a movement focus. Declining churches need to recapture the dynamism that helped them come into being in the first place. In order to break free from the status quo a new catalyst must be inserted into the equation in order to move forward to the next level. This article explores one such catalyst from a historical case study and reflects on its timeless church growth principles

    Refugee Repatriation During Conflict A New Conventional Wisdom.

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    Draft of a paper presented at a conference on "Refugee Repatriation During Conflict: A New Conventional Wisdom." Addis Ababa, Ethiopia. Disaster Studies (General Aspects)/Repatriation. (80.2C)The digital Cuny Archive was made available in part through funding assistance from USAID.The Center for the Study of Societies in Crisi

    Prospects for and Promotion of Spontaneous Repatriation. Draft.

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    Disaster Studies (General Aspects)/Repatriation. (80.2C)The digital Cuny Archive was made available in part through funding assistance from USAID

    Repatriation Under Conflict.

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    An article presented to the U. S. Committee for Refugees for the World Refugee Survey: 1900 in Review. Disaster Studies (General Aspects)/Repatriation. (80.2C)The digital Cuny Archive was made available in part through funding assistance from USAID

    Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

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    Water adsorption and dissociation processes on pristine low-index TiO2_{2} interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To understand these, we construct three sets of machine learning potentials that are simultaneously applicable to various TiO2_{2} surfaces, based on three density-functional-theory approximations. Here we show the water dissociation free energies on seven pristine TiO2_{2} surfaces, and predict that anatase (100), anatase (110), rutile (001), and rutile (011) favor water dissociation, anatase (101) and rutile (100) have mostly molecular adsorption, while the simulations of rutile (110) sensitively depend on the slab thickness and molecular adsorption is preferred with thick slabs. Moreover, using an automated algorithm, we reveal that these surfaces follow different types of atomistic mechanisms for proton transfer and water dissociation: one-step, two-step, or both. These mechanisms can be rationalized based on the arrangements of water molecules on the different surfaces. Our finding thus demonstrates that the different pristine TiO2_{2} surfaces react with water in distinct ways, and cannot be represented using just the low-energy anatase (101) and rutile (110) surfaces
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