NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations

Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be handled. The package allows inelastic neutron and X-ray scattering observables to be calculated, allowing comparison with experimental data produced at large scale facilities. Various simplification schemes are presented for analysing displacement vectors, which are otherwise too complicated to understand in very large systems.Comment: 13 pages, 5 figures, preprint submitted to Computer Physics Communication

Supporting Peer Help and Collaboration in Distributed Workplace Environments

Special Issue on Computer Supported Collaborative LearningIncreasingly, organizations are geographically distributed with activities coordinated and integrated through the use of information technology. Such organizations face constant change and the corresponding need for continual learning and renewal of their workers. In this paper we describe a prototype system called PHelpS (Peer Help System) that facilitates workers in carrying out such "life long learning". PHelpS supports workers as they perform their tasks, offers assistance in finding peer helpers when required, and mediates communication on task-related topics. When a worker runs into difficulty in carrying out a task, PHelpS provides a list of other workers who are ready, willing and able to help him or her. The worker then selects a particular helper with PHelpS supporting the subsequent help interaction. The PHelpS system acts as a facilitator to stimulate learning and collaboration, rather than as a directive agent imposing its perspectives on the workers. In this way PHelpS facilitates the creation of extensive informal peer help networks, where workers help one another with tasks and opens up new research avenues for further exploration of AI-based computer-supported collaborative learning. (http://aied.inf.ed.ac.uk/members98/archive/vol_9/greer/full.html

Ab initio calculation of effective work functions for a TiN/HfO(2)/SiO(2)/Si transistor stack

International audienceClose Ab initio techniques are used to calculate the effective work function (Weff) of a TiN/HfO2/SiO2/Si stack representing a metal-oxide-semiconductor (MOS) transistor gate taking into account first order many body effects. The required band offsets were calculated at each interface varying its composition. Finally, the transitivity of local density approximation (LDA) calculated bulk band lineups were used and completed by many body perturbation theory (MBPT) bulk corrections for the terminating materials (Si and TiN) of the MOS stack. With these corrections the ab initio calculations predict a Weff of a TiN metal gate on HfO2 to be close to 5.0 eV

ac susceptibility and critical-current densities in sintered YBa2Cu3O7−δ superconductors

The field-amplitude and frequency dependent complex ac susceptibility of a well sinteredYBa2Cu3O7−δ disk has been measured at 77K, which shows that its intra- and intergranular critical-current densities are determined by the collective flux creep inside the grains and the maximum Josephsoncurrents across the grain boundaries, respectively. While the former is widely recognized, the latter contrasts to a popular belief of a mechanism of Josephson-vortex pinning and creep

Fragmented Authority from Ancien Régime to Modernity: a Quantitative Analysis

This paper performs a systematic analysis that examines institutional fragmentation in terms of customs tariffs within states west of the Rhine from 1700 to 1815 and between states east of the Rhine from 1815 to 1871. Internal customs zones are measured in two ways: physical size and urban population. Both methods use 175 sample cities as described by De Vries (1984) in England, France, the Netherlands, and Spain as the basic unit of account. The results indicate that customs zones west of the Rhine were small prior to the French Revolution but grew dramatically from 1789 onwards. They thus provide definitive evidence of divided authority in Ancien Régime Europe. The measurement of external customs zones uses 117 sample cities in the German and Italian territories. The findings indicate a remarkable degree of institutional consolidation between states east of the Rhine over the 1800s

Fiscal Centralization, Limited Government, and Public Revenues in Europe, 1650-1913

Old Regime polities typically suffered from fiscal fragmentation and absolutist rule. By the start of World War I, however, many such countries had centralized institutions and limited government. This article uses a new panel data set to perform a statistical analysis of political regimes and public revenues in Europe from 1650 to 1913. Panel regressions indicate that centralized and limited regimes were associated with significantly higher revenues than fragmented and absolutist ones. Structural break tests also suggest close relationships between major turning points in revenue series and political transformations

ANALISIS FAKTOR-FAKTOR YANG MEMPENGARUHI MINAT KONSUMEN DALAM PEMBELIAN DAN PENYEWAAN KEBAYA DI ROEMAH KEBAYA DIVA PEKANBARU

Penelitian ini dilakukan pada Roemah Kebaya Diva Pekanbaru yang berlokasikan di Jalan Sudirman, Kecamatan Marpoyan Damai/Tangkerang Tengah yang berdiri pada tahun 2007. Tujuan dari penelitian ini adalah untuk mengetahui seberapa besar pengaruh Minat Konsumen dalam Penyewaan dan Pembelian Kebaya di Roemah Kebaya Diva Pekanbaru. Adapun pengambilan sampel menggunakan metode Random Sampling. Sampel yang digunakan dalam penelitian ini berjumlah 96 orang. Analisis data dalam penelitian ini adalah analisis kuantitatif dengan menggunakan metode regresi linier berganda dan data tersebut dianalisis menggunakan program SPSS 17.00. Hasil pengujian hipotesis menunjukkan bahwa nilai F hitung sebesar 29,452 > 2,316 dengan nilai signifikan sebesar 0,000 < 0,05 maka hipotesis F adalah faktor-faktor yang mempengaruhi minat konsumen dalam pembelian dan penyewaan kebaya di Roemah Kebaya Diva Pekanbaru. Maka model regresi menunjukkan bahwa secara simultan layanan konsumen, harga, produk, promosi, lokasi mempengaruhi minat konsumen dalam pembelian dan penyewaan kebaya di roemah kebaya diva pekanbaru. Nilai R sebesar 0,788, berarti hubungan keeratan secara bersama-sama antara variabel dependen dan variabel independen kuat karena R sebesar 0,788 berada diantara 0,60 -0,799. Dan diketahui nilai Adjusted R Square sebesar 0,600. Artinya adalah bahwa sumbangan pengaruh variabel independen terhadap variabel dependen adalah sebesar 60 %, sedangkan sisanya sebesar 40 % dipengaruhi oleh variabel lain yang tidak dimasukkan dalam model ini Keyword : Harga, Produk, Promosi, Lokasi, Layanan Konsume

KERJASAMA SISTER CITY KOTA BANDUNG-FORT WORTH MELALUI PROGRAM INTERNATIONAL LEADERSHIP ACADEMY DALAM MENINGKATKAN PENDIDIKAN DI KOTA BANDUNG

Penelitian ini merupakan kajian terhadap masalah internasional domestik, karena adanya kebijakan pemerintah daerah yang merupakan pengaruh dari sistem internasional itu sendiri. Kerjasama Sister City merupakan suatu kerjasama antara pemerintah Kota di satu negara dan pemerintah Kota di luar negeri, yang menitik beratkan pada hubungan persahabatan antar kota dan saling memahami. Kerjasama Sister City kali ini lebih difokuskan pada bagaimana kerjasama yang dilakukan oleh masing-masing negara untuk mendapatkan keuntungan bagi negara yang ikut serta terhadap program Sister City. Dengan perkembangan jaman, kerjasama Sister city dipandang dapat membantu pemerintah dalam membimbing pemerintah daerah dan masyarakat untuk berpartisipasi dalam pembangunan dan pendidikan kota. Maka dalam penelitian ini penulis bertujuan untuk mengetahui bagaimana kerjasama sister city kota bandung – fort worth, serta pengaruhnya program International Leadership Academy dalam meningkatkan pendidikan SMA di kota Bandung. Penulis memakai paradigma Liberalisme, sementara untuk metode penelitian, penulis dalam penyusunan laporan ini memakai metode penelitian deskriptif. Penulis menemukan pengaruh program Internasional Leadership Academy dalam meningkatkan pendidikan di kota bandung yaitu dengan di hadirkannya progpram ILA setiap tahun secara konsisten, mampu menjadi wadah untuk delegasi tiap kota yang tergabung dalam sister City demi mendorong setiap siswa menjadi kuat dalam segi kepemimpinan dan lebih peka terhadap isu-isu kritis terkini. Kata kunci: Sister city, International Leadership Academy, Pendidikan, Kota Bandung, Fort Worth