Innovation Owner
นาย Komsilp Kotmool
Advisor
Details
Computer simulations based on quantum mechanics allow scientists to predict the properties of materials and molecules without physical synthesis, saving time and research costs.
Before creating new materials or molecules in a laboratory, scientists can "simulate" the behavior of electrons and atoms in advance using computers, based on the fundamental laws of quantum mechanics. This technique, known as Ab Initio Modeling or Density Functional Theory (DFT), helps predict the properties of materials or molecules without the need for physical synthesis every time, saving both time and research costs.
This exhibition presents research applying this concept in two directions:
- Designing atomic-level "materials" for energy storage and zero-resistance electrical conduction.
- Designing "molecules" that emit light upon contact with specific substances, which is the principle behind various chemical sensors.
This reflects that abstract quantum physics and chemistry are essential tools behind clean energy innovations and everyday sensing technologies.
Objective
The project aims to use quantum calculations to predict atomic behavior, reducing research costs and bridging theory with innovations in clean energy and smart sensors.
- Visualizing the invisible — Calculating the behavior of electrons and atoms, which are smaller than what conventional microscopes can see.
- Predicting before acting — Helping to forecast the properties of new materials or molecules before wasting time and budget on laboratory synthesis.
- Reducing research costs and time — Screening hundreds of ideas via computer before selecting only the most promising ones for actual experimentation.
- Bridging theory to real-world application — From energy storage materials (batteries) and superconductors to fluorescent sensors for chemical detection.
- A universal language of science — The same principles apply to both materials physics and molecular chemistry, showing that different disciplines are connected by the same quantum laws.
- The starting point for modern innovation — Serving as the foundation for clean energy technologies, electronic devices, and smart sensors currently being developed worldwide.