In the morning of June 15th, Dr. Chen Huang from Department of Scientific Computing Florida State University (USA) visited ISSP. He gave a lecture entitled "Density-functional Embedding Theory: An Effective Way to Perform Multi-Scale Quantum Mechanics Simulations of Materials".
In his talk, he discussed about his recent advances in quantum mechanics embedding theory. He showed how to perform quantum mechanics embedding simulations of materials in a seamless and first-principle manner. He also discussed its application to resolving two long-term puzzles that are related to surface catalysis and metal corrosion: (a) the adsorption of carbon monoxide on copper surface; and (b) the counterintuitive oxidation process of aluminum surface.
After his talk, Prof. Zhi Zeng, vice-director of ISSP, expressed her thanks to Dr. Huang for his visit and hoped to cooperate with each other in the future.
Dr. Chen Huang is the assistant Professor in the Department of Scientific Computing at Florida State University. His research focuses on developing novel multi-scale methods to solve challenging electronic problems in materials. He has contributed significantly to the density-functional embedding theory. His work on embedding theory provides an effective and rigorous framework to perform multi-scale quantum mechanics simulations of heterogeneous materials. By using the embedding theory, he and coworkers have revealed the adsorption mechanism of carbon monooxide on copper surface, a critical step toward the understanding of methanol synthesis.