Circulatory system is a challenging subject for middle school students to learn and understand conceptual relationships. To address these challenges, this study developed plugged (computational thinking activities using computer) and unplugged (computational thinking activities without using computer) teaching modules that integrated computational…

As I approach my 70th year in physics, let me tell my younger colleagues about my adventures with computation. When I was 14, my father gave me a slide rule because I appeared to be headed toward a career in physics. Since then, I have had experience with many other calculating devices.

Physics classes with computation integrated into the curriculum are a fitting setting for investigating computational thinking. In this paper, we present a framework for exploring this topic in introductory physics courses. The framework, which was developed by reviewing relevant literature and acquiring video data from high school classrooms,…

Mitochondrial beta-oxidation is one of the most common modes of fatty acids' oxidation in most organisms, particularly mammals. Biochemistry undergraduate curriculum often contains the description of the process, with emphasis on ATP calculations for various types of fatty acids. During our decade long teaching experience in biochemistry, we…

An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable computation and visualization of the electronic energies and properties of molecules. Here we describe how the QCP…

Fractals are geometric objects used to describe irregular shapes that have a fractional dimension and commonly appear in nature. Although several proposals for the study of perfect fractals at the basic level are present in the literature, only few proposals for the study of real fractals exist, which does not seem reasonable considering the…

A computational laboratory experiment investigating molecular models for hexagonal boron-carbon-nitrogen sheets (h-BCN) was developed and employed in an upper-level undergraduate chemistry course. Students used the Avogadro user interface for molecular editing and the WebMO interface for the quantum computational workflow. Density functional…

In this work, two exercises are described that are designed to teach students about the evolution and behavior of the electronic bands of graphene and bilayer graphene. These exercises involve performing extended Hückel molecular orbital theory calculations on polyacenes and polycyclic aromatic hydrocarbons. In the first exercise, students…

This paper describes a high school or introductory university course in scientific programming that introduces the computer revolution into the physics curriculum at the beginning. In the first one-hour lecture, Euler's method is presented and used to compute a solution to the analytically unsolvable two-body problem. In the remainder of the…

We explored how preservice teachers in a middle school science methods course learned and applied computational thinking (CT) concepts and activities during a month-long intervention. In the intervention, preservice teachers learned about CT concepts through an hour-long lecture in their methods class, practiced a computing-integration activity…

The perspective that computing and computational thinking (CT) are necessary competencies for the 21st century is increasingly pervasive. Computational concepts and methods--problem solving, designing systems, refining the steps in a process, and tinkering toward creative solutions--are relevant in nearly every discipline, profession, and…

BufCap TOPOS is free software that generates 3-D topographical surfaces ("topos") for acid-base equilibrium studies. It portrays pH and buffer capacity behavior during titration and dilution procedures. Topo surfaces are created by plotting computed pH and buffer capacity values above a composition grid with volume of NaOH as the x axis…

G, G°, [delta][subscript r]G, [delta][subscript r]G°, [delta]G, and [delta]G° are essential quantities to master the chemical equilibrium. Although the number of publications devoted to explaining these items is extremely high, it seems that they do not produce the desired effect because some articles and textbooks are still being written with…

A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

Frederick Sanger's early work on protein sequencing through the use of colorimetric labeling combined with liquid chromatography involves an important nucleophilic aromatic substitution (S[subscript N]Ar) reaction in which the N-terminus of a protein is tagged with Sanger's reagent. Understanding the inherent differences between this S[subscript…