In this paper, we present a computational chemistry project that demonstrates the quantum dynamics of a free particle, using both classical and quantum computing algorithms. This project can be used in a computational quantum chemistry course in which the instructor introduces quantum computing. Students write their own programs to simulate the…

Herein, we present a program implemented in Python that utilizes a simple complete-search algorithm to determine the geometry of a lanthanide-substrate (LS) complex. The program serves as a practical project in a programming course for chemistry students, specifically aimed at illustrating fundamental concepts such as decision-making, repetition,…

Integration of computational data science (CDS) into the university curriculum offers several advantages for students, faculty and the institution. This article discusses the benefits to students of introducing CDS into the university curriculum with a focus on developing skills in cheminformatics, data analysis, structure--activity relationships,…

To help undergraduates make connections among disciplines so they are able to approach, evaluate, and contribute to the solutions of important global problems, our campus has been focused on interdisciplinary research and education opportunities across the science, technology, engineering, and mathematics (STEM) disciplines. This paper describes…

Research collaborations between chemists and other scientists resulted in significant outcomes such as development of software. Such collaboration provided a realistic learning experience for computer science students.

Describes a computer program used in an experiment in which the partial molal volumes of sodium chloride solutions are calculated as a function of concentration from densities measured with a pycnometer. The complete program listing (also available from the author on disk) and a sample run are included. (JN)

Local area networks are common communication conduits allowing various terminals, computers, discs, printers, and other electronic devices to intercommunicate over short distances. Discusses the vocabulary of such networks including RS-232C point-to-point and IEEE-488 multidrop protocols; error detection; message packets; multiplexing; star, ring,…

This first article includes background material on computers that will be of value in understanding subsequent papers in the series. It also discusses the advantages and problems of implementing computer-based educational materials at locations and on machines for which the materials were not originally designed. (BB)

Purpose: The purpose of this scientific monograph is to show new and creative approaches to different school subjects in primary and secondary level. Methodology: Interdisciplinary and international comparative approaches were used. Now according to the 7th Framework Program, the preferred form of Science Education (www.scientix.eu) is preferred…

Describes a procedure for periodically sampling varying analog signals and storing its digitized signal in the computer. (MLH)

The setup described here for recording chemical transient phenomena is intended to be simple and an instructive example of interfacing experiments that can be performed on any microcomputer possessing adequate memory and input-output facilities. (BB)

Presented are sources of information on a wide range of topics related to microcomputers in general and chemistry in particular. Sources described include "Journal of Chemical Education,""Collegiate Microcomputer,""SIAM News,""Creative Computing,""Byte," and others. Types of articles/information found in these publications are briefly considered.…

The pedagogy, logistics, and administration of computers in chemical education at the college level is detailed. (MP)

Described is a project SIINC (Scientific Instrumentation Information Network and Curriculum), a three year pilot program to test the feasibility of developing a computer-based system for accessing information vital to users of chemical instrumentation. Project SIINC fills the gap between conventional sources of instrumental information and…

Describes an interdisciplinary program in the areas of biochemistry, biology, and computer science offered at Chestnut Hill College, Philadelphia, Pennsylvania, to update 30 women in order to prepare them to return to the job market in chemistry. (HM)