Potential energy diagrams have been central tools for chemistry teaching and research for over 50 years. We present an application, EveRplot, which is accessible by web browser (including mobile devices) and can be used to create energy versus reaction coordinate plots quickly and easily. Through three case studies, we illustrate the use of the…

In artificial life research, scientists use the principles of evolution to develop complex behaviors from simple elements. By creating lifelike processes, they are trying to understand real organisms and explore possibilities for life in other circumstances. Techniques used are diverse, including biological testing, robotics, and computer…

Discusses the unique user interface of Apple's Macintosh microcomputer which is changing the way researchers interact with their data. Topic areas addressed include: desktop, mouse, and windows; preparing scientific illustrations; MacPaint; and charts and graphics. Limitations are also noted. (DH)

Reports effects of context that are entirely perceptual. Visual discrimination was enhanced when line segments were flashed in a region that was perceived as a figure. Discrimination was substantially degraded when the same region was seen as ground although the physical stimulus remained identical throughout figure-ground reversals. (Author/JN)

Discusses the controversy surrounding the initial decision to establish, and the current decision to phase out, the National Resource for Computation in Chemistry (NRCC), a computational chemistry center jointly sponsored by the National Science Foundation and the Department of Energy. (CS)

Describes a National Science Foundation (NSF) initiative designed to broaden access to advanced computing facilities for university researchers not eligible to tap into federally subsidized networks. Rationale for and issues related to the initiative are also considered. (JN)

Discusses issues related to the access of and training of university researchers in using supercomputers, considering National Science Foundation's (NSF) role in this area, microcomputers on campuses, and the limited use of existing telecommunication networks. Includes examples of potential scientific projects (by subject area) utilizing…

When problems defy solution, mathematicians can settle for "almost." This branch of mathematics (called computational complexity) encompasses both the number of parts involved in a problem and the intricacy of their interrelatedness. Current research in this area is discussed, considering various computer applications involved. (JN)

Addresses questions of the philosophy of computer use that cut across various specialities, providing examples to make these distinctions clear. Topics considered include numerical analysis, simulations, software, Fortran computer language, and hardware. Indicates that computers do more than analyze experimentors' data. (JN)

Experimentalists in particle physics have long regarded computers as essential components of their apparatus. Theorists are now finding that significant advances in some areas can be accomplished only in partnership with a machine. Needs of experimentalists, interests of theorists, and specialized computers for high-energy experiments are…

Discusses contributions of computers to research in magnetic and inertial-confinement fusion, charged-particle-beam propogation, and space sciences. Considers use in design/control of laboratory and spacecraft experiments and in data acquisition; and reviews major plasma computational methods and some of the important physics problems they…

The expected thrust for theoretical chemistry in the next decade will be to combine knowledge of fundamental chemical steps/interactions with advances in chemical dynamics, irreversible statistical mechanics, and computer technology to produce simulations of chemical systems with reaction site competition. A sample simulation (using the enzyme…

Discusses the recent decision to close down the National Resource for Computation in Chemistry (NRCC), implications of that decision, and various alternatives in the field of computational chemistry. (CS)

Discusses ways computers are being used in condensed-matter physics by experimenters and theorists. Experimenters use them to control experiments and to gather and analyze data. Theorists use them for detailed predictions based on realistic models and for studies on systems not realizable in practice. (JN)

Intelligent relationships with people are among the goals for tomorrow's computers. Knowledge-based systems used and being developed to achieve these goals are discussed. Automatic learning, producing inferences, parallelism, program languages, friendly machines, computer vision, and biomodels are among the topics considered. (JN)