218 research outputs found
Specificity of human resources management in networked hotels of Ekaterinburg in modern conditions
The hotels of international hotel chains represented in Ekaterinburg make high requirements on the staff in accordance with international standards. Analysis of vacancies shows that the level of wages of line staff, mainly administrators of the reception, not quite corresponds to the volume of their responsibilities and requirements for candidates for the post. In comparison with the level of salary of relevant staff of local hotels, hotel chains salary is significantly lower, while personnel requirements are much higher. HR-departments provided by international standards have been reduced to one officer or eliminated because of the crisis of 2008-2009 and nowadays and because their content is very costly. Responsibility for the selection and training of staff at the same time borne by the line management department, which reduces the efficiency of this work.В отелях международных гостиничных цепей, представленных в Екатеринбурге, предъявляются высокие требования к персоналу в соответствии с мировыми стандартами. Анализ вакансий показывает, что уровень заработных плат линейного персонала, главным образом администраторов службы приема и размещения, не вполне соответствует объему их обязанностей и требований к кандидатам на соответствующие должности. В сравнении с уровнем оплаты труда соответствующих сотрудников местных отелей, зарплаты в сетевых отелях значительно ниже, тогда как требования к персоналу значительно выше. Предусмотренные международными стандартами службы управления человеческими ресурсами в связи с кризисом 2008-2009 годов и в настоящее время сокращаются до одного сотрудника, либо полностью устраняются, поскольку их содержание очень затратно. Обязанности по подбору и обучению персонала при этом ложатся на линейных руководителей отделом, что снижает эффективность данной работы
Ab initio water hexamers and octamers: tool to study hydrogen-bonded pattern in liquid water
Fourteen different structures of water hexamer found ab initio within a 6-
311G** basis set in the interval of 1.7 kcal/mol above the global minimum
represent an unprecedently wide range of conformational plasticity of liquid
water. The present work also provides the first ab initio demonstration of
the existence of pentacoordinated water clusters.Чотирнадцять різних структур гексамера води, які знайдені методом ab initio в базисі 6-311G** в інтервалі 1.7 kcal/mol вище глобального мінімуму, є безпрецедентним прикладом високої конформаційної
пластичності рідкої води. Дана робота також вперше демонструє існування пентакоординаційних кластерів води на рівні прецизійних ab initio розрахунків
Problems of organization and holding of major events on the example of International Young Physicists' Tournament (IYPT) 2016
Ekaterinburg increasingly tends to stand out in the international arena. In this connection, it arranged more and more international events. However, the organization of such events is much more complicated than the events of lower value. The organizers must not only prepare the venue for the event, the necessary equipment, food and cultural program, but also take into account the features of guests from different countries and to anticipate the possibility of different problems and the possible ways of their solution. It is often necessary to solve the problems on the spot, and in this case only the rapid response of the organizers can help. This article describes some problems and emergency situations of the International Young Physicistsc Tournament (2016) in opinion of volunteers of this event.Екатеринбург все больше стремится выделиться на международной арене. В связи с этим в городе устраивается все больше мероприятий международного масштаба. Однако организация таких мероприятий на порядок сложнее, чем события меньшего значения. Организаторы должны не только подготовить место проведения события, необходимое оснащение, питание и культурную программу, но также учесть особенности гостей из разных стран и предвидеть возможность возникновения различных внештатных ситуаций и потенциальные пути их решения. При этом зачастую возникшие проблемы приходится решать на месте, и в данном случаем может помочь только оперативное реагирование организаторов. В данной статье описаны проблемные ситуации Международного турнира юных физиков (2016) с точки зрения волонтеров данного мероприятия
A self-consistent first-principles calculation scheme for correlated electron systems
A self-consistent calculation scheme for correlated electron systems is
created based on the density-functional theory (DFT). Our scheme is a
multi-reference DFT (MR-DFT) calculation in which the electron charge density
is reproduced by an auxiliary interacting Fermion system. A short-range
Hubbard-type interaction is introduced by a rigorous manner with a residual
term for the exchange-correlation energy. The Hubbard term is determined
uniquely by referencing the density fluctuation at a selected localized
orbital. This strategy to obtain an extension of the Kohn-Sham scheme provides
a self-consistent electronic structure calculation for the materials design.
Introducing an approximation for the residual exchange-correlation energy
functional, we have the LDA+U energy functional. Practical self-consistent
calculations are exemplified by simulations of Hydrogen systems, i.e. a
molecule and a periodic one-dimensional array, which is a proof of existence of
the interaction strength U as a continuous function of the local fluctuation
and structural parameters of the system.Comment: 23 pages, 8 figures, to appear in J. Phys. Condens. Matte
Constraint-based, Single-point Approximate Kinetic Energy Functionals
We present a substantial extension of our constraint-based approach for
development of orbital-free (OF) kinetic-energy (KE) density functionals
intended for the calculation of quantum-mechanical forces in multi-scale
molecular dynamics simulations. Suitability for realistic system simulations
requires that the OF-KE functional yield accurate forces on the nuclei yet be
relatively simple. We therefore require that the functionals be based on DFT
constraints, local, dependent upon a small number of parameters fitted to a
training set of limited size, and applicable beyond the scope of the training
set. Our previous "modified conjoint" generalized-gradient-type functionals
were constrained to producing a positive-definite Pauli potential. Though
distinctly better than several published GGA-type functionals in that they gave
semi-quantitative agreement with Born-Oppenheimer forces from full Kohn-Sham
results, those modified conjoint functionals suffer from unphysical
singularities at the nuclei. Here we show how to remove such singularities by
introducing higher-order density derivatives. We give a simple illustration of
such a functional used for the dissociation energy as a function of bond length
for selected molecules.Comment: 16 pages, 9 figures, 2 tables, submitted to Phys. Rev.
Local scaling transformations applied to density-functional calculations of Li and Be atoms
The effect of S-substitution at the O6-guanine site on the structure and dynamics of a DNA oligomer containing a G:T mismatch
The effect of S-substitution on the O6 guanine site of a 13-mer DNA duplex containing a G:T mismatch is studied using molecular dynamics. The structure, dynamic evolution and hydration of the S-substituted duplex are compared with those of a normal duplex, a duplex with Ssubstitution on guanine, but no mismatch and a duplex with just a G:T mismatch. The S-substituted mismatch leads to cell death rather than repair. One suggestion is that the G:T mismatch recognition protein recognises the S-substituted mismatch (GS:T) as G:T. This leads to a cycle of futile repair ending in DNA breakage and cell death. We find that some structural features of the helix are similar for the duplex with the G:T mismatch and that with the S-substituted mismatch, but differ from the normal duplex, notably the helical twist. These differences arise from the change in the hydrogen-bonding pattern of the base pair. However a marked feature of the S-substituted G:T mismatch duplex is a very large opening. This showed considerable variability. It is suggested that this enlarged opening would lend support to an alternative model of cell death in which the mismatch protein attaches to thioguanine and activates downstream damage-response pathways. Attack on the sulphur by reactive oxygen species, also leading to cell death, would also be aided by the large, variable opening
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