نتایج جستجو برای: quantum espresso

تعداد نتایج: 296639  

2003
Alan Mishchenko Robert K. Brayton Tsutomu Sasao

A transformation of multi-valued input binary-output functions, called co-singleton transform (CST), was introduced in [11] to reduce algebraic multi-valued (MV) operations to binary. In this paper, we explore its potential for a number of problems related to MV SOP minimization, such as computing ISOPs, the set of all primes, and the set of all essential primes. Experimental results show that ...

2004
Isabella Locatelli Alessandro Rosina Paul Lichtenstein Anatoli I. Yashin

Riassunto: Allo scopo di determinare il ruolo giocato da fattori genetici e ambientali nell’influenzare la propensione a contrarre un tumore al seno ricorriamo a modelli di analisi della sopravvivenza con frailty, applicati ai dati su coppie di gemelle. Una stima della componente genetica della frailty individuale nei confronti della malattia, ottenuta introducendo nel modello considerazioni pr...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی اصفهان - دانشکده مهندسی برق 1393

حسگرهای گاز به عنوان یکی از عناصر اصلی بسیاری از سیستم های هوشمند مورد توجه بخش های صنعت و پژوهش قرار گرفته اند. این حسگرها در حوزه های مختلف مانند تولیدات صنعتی (آشکارسازی متان در معادن)، صنعت اتوموبیل سازی (آشکارسازی گازهای آلاینده خودروها)، کاربردهای پزشکی (بینی الکتریکی)، تست کنترل کیفیت هوا در منازل و کارگاه ها (آشکارسازی گاز مونوکسید کربن) و بررسی غلظت گازهای گلخانه ای مورد استفاده قرار م...

Journal: :Computer Physics Communications 2023

We develop the interface tool wan2respack, which connects RESPACK (software that derives low-energy effective Hamiltonians of solids) with Wannier90 constructs Wannier functions). wan2respack converts functions obtained by into those used in RESPACK, is then to derive solids. In this paper, we explain basic usage and show its application standard compounds correlated materials, namely, metal Sr...

Journal: :حکمت و فلسفه 0
علی پایا هیئت علمی دانشگاه علامه طباطبایی

the aim of the present paper is to sbo» that anti-realism in science, 1vhich has a1;guab/y become more fashionable in recentyears, contrary to tuha: its proponents assert, cannot make use of quantum mechanics and its impressiue achievements as a frump card in justifying its claims. i will argue that scientific anti-realism far from providing scientific communiry with a progressive methodologica...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان 1390

abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

Journal: :Computer Physics Communications 2022

We present IrRep – a Python code that calculates the symmetry eigenvalues of electronic Bloch states in crystalline solids and irreducible representations under which they transform. As input it receives bandstructures computed with state-of-the-art Density Functional Theory codes such as VASP, Quantum Espresso, or Abinit, well any other has an interface to Wannier90. Our is applicable material...

There are many obstacles in quantum circuits implementation with large scales, so distributed quantum systems are appropriate solution for these quantum circuits. Therefore, reducing the number of quantum teleportation leads to improve the cost of implementing a quantum circuit. The minimum number of teleportations can be considered as a measure of the efficiency of distributed quantum systems....

Journal: :international journal of nano dimension 0
a. azari islamic azad university, tabriz branch, tabriz, iran. s. zabihi a. islamic azad university, tabriz branch, tabriz, iran. k. seyyedi.s islamic azad university, tabriz branch, tabriz, iran.

a noninteracting quantum-dot arrays side coupled to a quantum wire is studied. transport through the quantum wire is investigated by using a noninteracting anderson tunneling hamiltonian. the conductance at zero temperature develops an oscillating band with resonances and antiresonances due to constructive and destructive interference in the ballistic channel, respectively. moreover, we have fo...

Journal: : 2022

Experimental studies of excitation thymine, guanine, cytosine, uracil, which are the basis biological structure DNA and RNA, contribute to study mechanisms their destruction under influence low-energy β-radiation ultraviolet radiation. Crystal chemical analysis cytosine molecule showed that it exists in two crystalline forms crystallize orthorhombic syngony, but different space groups (form Cyt...

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