Abstract: This paper introduces GPU (Graphics Processing Unit) parallel computing into structural chemistry visualization teaching through the development of the JCHEM visualization platform, which enables installation- and configuration-free real-time interactive exploration of complex wave functions. To address the issues of high programming barriers and missing phase information in traditional tools, the platform adopts a pure front-end WebGL (Web Graphics Library) architecture with HSV (Hue, Saturation, Value) color mapping, supporting the visualization of complex linear combinations of hydrogen-like atomic orbitals and real-time adjustment of coefficients. The platform intuitively displays wave function phase information via HSV color mapping and allows real-time adjustment of orbital coefficients through dragand-drop interaction on the complex plane. Preliminary feedback from teaching practice indicates that the platform helps students establish an intuitive association between “coefficients and shapes”, thereby bridging the gap between the mathematical formalism and physical images of quantum mechanics. Systematic evaluation of the teaching effectiveness is still ongoing.

Key words: Structural chemistry, Wave function visualization, WebGL, GPU parallel computing, Teaching reform