Add to ORKGThe 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
Computational chemistry is a fast-growing sub-discipline of chemistry with broad applications. Stude...
A series of open source benchmarks for computer performance analysis of personal computers with a fo...
Computational chemistry requires expensive computers and significant computer expertise. We are reme...
DHPC Technical Report DHPC-073 pubished in Internet Journal of Chemistry, 2000; 3(4):33Access to hig...
An introduction and brief histories will begin a discussion about computer clusters and their use in...
Abstract. Computational quantum chemistry helps us to determine, calculate, and study new concepts, ...
Parallel hardware has become readily available to the computational chemistry research community. Th...
The demands of chemists for computational resources are well known and have been amply documented. T...
Computational chemistry is a discipline that concerns the computing of physical and chemical propert...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
This chapter describes the performance of a compute cluster applied to solve Three Dimensional (3D) ...
Author Institution:Quantum Mechanical computations can often be used to obtain accurate spectroscopi...
The success of high performance computing in modeling scientific and engineering applications motiva...
One of the most promising suggested applications of quantum computing is solving classically intract...
This paper aims to discuss and reflect about the use of computers in the teaching of Quantum Chemist...
Computational chemistry is a fast-growing sub-discipline of chemistry with broad applications. Stude...
A series of open source benchmarks for computer performance analysis of personal computers with a fo...
Computational chemistry requires expensive computers and significant computer expertise. We are reme...
DHPC Technical Report DHPC-073 pubished in Internet Journal of Chemistry, 2000; 3(4):33Access to hig...
An introduction and brief histories will begin a discussion about computer clusters and their use in...
Abstract. Computational quantum chemistry helps us to determine, calculate, and study new concepts, ...
Parallel hardware has become readily available to the computational chemistry research community. Th...
The demands of chemists for computational resources are well known and have been amply documented. T...
Computational chemistry is a discipline that concerns the computing of physical and chemical propert...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
This chapter describes the performance of a compute cluster applied to solve Three Dimensional (3D) ...
Author Institution:Quantum Mechanical computations can often be used to obtain accurate spectroscopi...
The success of high performance computing in modeling scientific and engineering applications motiva...
One of the most promising suggested applications of quantum computing is solving classically intract...
This paper aims to discuss and reflect about the use of computers in the teaching of Quantum Chemist...
Computational chemistry is a fast-growing sub-discipline of chemistry with broad applications. Stude...
A series of open source benchmarks for computer performance analysis of personal computers with a fo...
Computational chemistry requires expensive computers and significant computer expertise. We are reme...