Computational Experiments for Science Education

Abstract

Computational experiments based on solving fundamental physics equations bring authentic science to the classroom. C omputational physics, which provides digital representations of natural phenomena by solving their governing equations numerically, has transformed areas as diverse as scientifi c research, engineering design (1), and fi lm production (2). It is also changing the way science is taught. The Molecular Workbench (MW) software, http://mw.concord.org, developed by the Concord Consortium, illustrates this perspective. MW models atomicscale phenomena on the basis of molecular dynamics and quantum mechanics calculations, which enables students to carry out computational experiments to investigate and learn a wide range of science concepts.The atomic world is alien to students: Electrons, atoms, and molecules are too small to be seen, and their interactions resemble nothing in the everyday observations that shape our intuitions. In the world of electromagnetic forces, thermodynamics, and quantum mechanics, there is little that students can assemble or tear apart with their bare hands in order to learn how those rules work. Traditional static ball-and-stick models of molecules fall short of conveying those essentially dynamic rules.When direct hands-on experiences are not feasible in the classroom, computational experiments provide attractive alternatives. Inquiry through computational experiments is similar to inquiry through real experiments: Students observe visualizations, raise "what-if " questions, formulate hypotheses, design and conduct investigations to test their ideas, and, fi nally, analyze and interpret results. In some cases, good simulations can be just as effective as their real counterparts (3, 4).For a computer simulation to become a versatile experimentation tool, a computational engine capable of accurately simulating many real-world situations is needed.Each instance of such a generic engine models a specifi c phenomenon.For example, the computer models of a pendulum and a spring are two engines for solving Newton's equation of motion. The two appear to be different, but they are computed using the exact same engine. MW is a tool for designing and conducting computational experiments with atoms and molecules, based on molecular dynamics and quantum dynamics simulation methods that originate from molecular modeling research (5). These computational methods approximate the fundamental laws in the world of atoms and molecules, and so MW's computational engines create dynamic visualizations of atomic motions and electron waves (see the fi rst fi gure). The molecular dynamics engine uses classical mechanics to predict the motion of atoms according to the forces computed from potential energy functions that model interatomic interactions (6). The quantum dynamics engine solves the time-dependent Schrödinger equation to predict the propagation of wave functions in potential fi elds that model atomic-scale structures (7). The engines can be confi gured to simulate real or thought experiments. U...

Moving towards engaged learning in STEM domains; there is no simple answer, but clearly a road ahead

“…Web‐based applications have created a situation in which these technologies have become readily available for usage in classrooms or at home. Examples of repositories of online labs or simulations that are very widely used in science education are the PhET (Moore & Perkins, ; Wieman, Adams, & Perkins, ), Amrita/OLabs (Achuthan et al, ; Nedungadi, Malini, & Raman, ; Nedungadi, Ramesh, Pradeep, & Raman, ), Molecular Workbench (Xie et al, ), Physics Aviary (MacIsaac, ), Physlet Physics (Christian & Belloni, ), and ChemCollective (Yaron, Karabinos, Lange, Greeno, & Leinhardt, ) collections. The Go‐Lab sharing platform (http://www.golabz.eu, see, e.g., de Jong, Sotiriou, & Gillet, ) is an example of a platform in which labs from different repositories are brought under one umbrella.…”

Infrared cameras in science education

“…Although our work shows that learners can develop thermal concepts through IR imaging, students still need to be prepared with age-appropriate scientific models of the studied phenomena, such as a simple model of heat conduction [18], in order to be able to interpret what they see through an IR camera. While IR imaging provides a way to visualize thermal phenomena at the macroscopic level, it can be complemented with other visualization tools such as the Molecular Workbench [20] to teach microscopic concepts.…”

Visualization of fluid simulation: An SPH‐based multi‐resolution method

“…Visualization of fluid simulation is an important method for revealing the complex natural phenomena. Researchers have showed that the visualized fluid flows are intuitive for students to understand the natural phenomena and solve engineering problems intuitively . Fluid motion yields rich multi‐scale visual details, such as smooth water surface or tiny sprays; thus, animating these details is critical to produce realistic visual effects of fluid motion.…”