Sample records for quantum computers

Sample records 1 - 3 shown.


Técnicas para análise de desempenho de computadores/ Technics for computer performance analysis

Vazquez, Pedro A. M.

Resumo em inglês A series of open source benchmarks for computer performance analysis of personal computers with a focus on computational chemistry calculations is presented. The results returned by these tests are discussed and used to correlate with the actual performance of a set of computers available for research on two computing intensive fields of chemistry, quantum chemical and molecular simulation calculations.

Scientific Electronic Library Online (Portuguese)


O ensino de química quântica e o computador na perspectiva de projetos/ The teaching of quantum chemistry and the computer from the perspective projects

Arroio, Agnaldo; Honório, Káthia M.; Weber, Karen C.; Homem-de-Mello, Paula; Silva, Albérico B. F. da

Resumo em inglês This paper aims to discuss and reflect about the use of computers in the teaching of Quantum Chemistry. A course on Computational Quantum Chemistry concentrating on Medicinal Chemistry projects was developed for undergraduate and graduate students. The results showed that students got more motivated and involved when there is an articulation between theory and practice. This work presents an alternative way to teach Theoretical Chemistry using projects.

Scientific Electronic Library Online (Portuguese)


Computação em química teórica: informações técnicas/ Computation in theoretical chemistry: technical informations

Morgon, Nelson Henrique

Resumo em inglês The purpose of this work is to demonstrate the usefulness of low cost high performance computers. It is presented technics and software packages used by computational chemists. Access to high-performance computing power remains crucial for many computational quantum chemistry. So, this work introduces the concept of PC cluster, an economical computing plataform.

Scientific Electronic Library Online (Portuguese)