发刊词——中国计算机与应用化学的进展

在中国科学院化学学部和中国化学会支持下,经过中国科学院化工冶金研究所、化学研究所、中国科技大学;化工部北京化工学院;石油部北京石油设计院等五单位两年来的筹备,中国《计算机与应用化学》杂志今天创刊了,这标志着我国化学界正式跨入计算机时代,即化学工作进一步现代化的时代。这部刊物着重反映在应用化学(化工、冶金、石油、分析、有机、轻工、原子能……)和化学教学方面,利用电子计算机解决化学问题的进展和动态,兼具提高和学术     

Disk cache architectures for transaction-like applications in parallel computers

Computing - I/O in computer systems is prone to become a bottleneck. This is a particular severe problem in highly parallel machines where some applications are fully I/O bound if only one or few...     

Architectures of assistive software applications for Windows-based computers

This paper considers the architecture of some of the most common types of assistive software, namely, screen readers, full-screen magnifiers, on-screen keyboards, predictors and simulated Braille keyboards. The paper provides an overview of the operation of these applications and then identifies the technologies that may be used to implement assistive applications on a Windows platform. The basic architecture of each of the applications is then presented and is followed by examples of how technologies and design approaches that are used in one type of application can be used to enhance the capabilities of another type of application.     

个人计算机和工作站上计算化学软件性能的综合测评

选择Gaussian98大型计算化学软件包，设计了两组具有代表性的测试算例，在多种个人计算机和工作站硬件、系统软件平台上进行计算性能的综合测试、分析和评价。指出目前高端PC机采用Linux操作系统时性能完全可匹敌最快的工作站，为计算化学研究者选择和构架高性能、价格比的计算机系统提供参考。     

对计算化学的涵义与课程开设情况的调查

计算化学是以计算机为工具,采用量子力学、分子力学、统计力学等理论方法,借助于计算软件来解决物质性质等化学相关问题的新学科.目前国内对计算化学内涵的认识尚不一致,各高校开设的计算化学课程的内容设置也不尽相同.本文通过调研计算化学科研、专著、期刊以及若干高校计算化学课程的开设情况,总结了计算化学的共同特点.     

Software environment for implementing engineering applications on MIMD computers

In this paper the concept for a software environment for developing engineering application systems for multiprocessor hardware (MIMD) is presented. The philosophy employed is to solve the largest problems possible in a reasonable amount of time, rather than solve existing problems faster. In the proposed environment most of the problems concerning parallel computation and handling of large distributed data spaces are hidden from the application program developer, thereby facilitating the development of large-scale software applications. Applications developed under the environment can be executed on a variety of MIMD hardware; it protects the application software from the effects of a rapidly changing MIMD hardware technology.     

Data-base management software for computer applications on small computers

The G-EXEC subset, described in terms of data-base management software for third-world geologists, retains all features of the full G-EXEC system including generalization, and system integration. The system is composed of selected programs for input-output operations, data vetting and validation, retrieval, and file manipulation. Implementation of the subset on the Syracuse University IBM 370/155 is described and additional planned phase-by-phase upgrades are annotated.     

Integrating computers into the university curriculum: The experience of the U.K. Computers in Teaching Initiative

The role of computers in university-level research activities has been established for two decades. But advances in microprocessor technology coupled with developments in local area networking are opening up a new dimension to university computing, with computers entering the classroom and lecture theatre as routine pedagogic aids.In the United Kingdom, the Computers in Teaching Initiative (CTI) is a national programme designed to promote a greater awareness of the scope of computer assisted teaching in universities. 135 demonstration projects have been established around the country, including one in almost every academic discipline. Projects are usually based in a single university department, and funding is typically about £80,000 spread over two years.This paper draws extensively on the experiences of CTI projects to explore the new opportunities presented by the use of computers in university teaching, and the difficulties and challenges that have yet to be surmounted if we are to utilise effectively the new technology.The UK experience indicates that the most effective use of computers in university teaching goes far beyond the simple acquisition and testing of “knowledge”. Many CTI projects are using computers to enhance other areas of the cognitive domain, using simulation and modelling techniques to promote appreciation, understanding, and synthesis.     

Lap computers in the laboratory

The acquisition of data from laboratory instruments and the automatic control of experimental apparatus is facilitated by the use of small, inexpensive battery-powered microcomputers ('lap computers'). Useful capabilities and features of currently available lap computers are summarized. A general strategy for data acquisition from laboratory instruments is outlined, and three illustrative examples of particular applications of lap computers in data acquisition and experimental control are described.     

Personal computers in offices of the future

The prospects of microprocessor-based information systems replacing the typewriter, filing cabinet and desk are examined. The main components of these systems, including the workstation, are described and the activities of an office in which such systems might function are defined. An outline of future technological advances, possible markets for the systems and some of the potential drawbacks are given. It is concluded that it is feasible to develop an integrated office information system which can potentially replace the typewriter, filing cabinet and desk.     

Error-control coding in computers

In this article, intended for readers with basic knowledge in coding, the codes used in actual systems are surveyed. Error control in high-speed memories is examined, including bit-error-correcting/detecting codes, byte-error-correcting/detecting codes, and codes to detect single-byte errors as well as correct single-bit errors and detect double-bit errors. Tape and disk memory codes for error control in mass memories are discussed. Processor error control and unidirectional error-control codes are covered, including the application of the latter to masking asymmetric line faults     

Personal computers at the NCC

The story at the 1982 NCC exhibition was microcomputers, with over 100 new machines on display. Many were IBM Personal Computer lookalikes. There is still a lack of software available.