Researchers take 'significant leap forward' with quantum simulation of molecular electron transfer

Researchers at Rice University have achieved a breakthrough in simulating molecular electron transfer—a process critical to numerous physical, chemical, and biological systems—using a trapped-ion quantum simulator. Their programmable quantum system precisely modeled key factors such as energy gaps, electronic couplings, and environmental dissipation, providing insights into processes like photosynthesis and energy transport in biomolecules. This advancement, detailed in Science Advances, demonstrated the ability to replicate standard electron transfer models under varying conditions and identified optimal energy transport parameters. The work holds potential for transformative applications in renewable energy, molecular electronics, and quantum material design, bridging the gap between theory and experiment in quantum mechanics.

For more details, please continue reading the full article under the following link:


In general, if you enjoy reading this kind of scientific news articles, I am always keen to connect with fellow researchers in materials science, including the possibility to discuss about any potential interest in the Materials Square cloud-based online platform ( www.matsq.com ), designed for streamlining the execution of materials and molecular modelling simulations!

The Materials Square platform in fact provides extensive web-based functionalities for computational chemistry/materials research and training/education purposes, as detailed also in the following PDF brochure: https://www.materialssquare.com/wp-content/uploads/Materials_Square_Brochure_2022-compressed_1674181754.pdf

Many thanks for your interest and consideration,

Dr. Gabriele Mogni
Technical Consultant and EU Representative of Virtual Lab Inc., the parent company of the Materials Square platform
Website: Home | Virtual Lab Inc.
Email: gabriele@simulation.re.kr

#materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation