[Joint CQSE & NCTS Seminar] Applications of Quantum and Digital Annealers in Chemistry and Biology

Title: [Joint CQSE & NCTS Seminar] Applications of Quantum and Digital Annealers in Chemistry and Biology
Speaker: Dr. Pei-Hua Wang (National Taiwan University)
Time: 2024/12/06 (Fri.) 14:20-16:20
Place: Rm. 104, Chin-Pao Yang Lecture Hall, Department of Physics/CCMS, NTU
Online: https://nationaltaiwanuniversity-zbh.my.webex.com/nationaltaiwanuniversity-zbh.my/j.php?MTID=m7601bdfa496ccaf8aac2838aab8c25f2
 

Abstract
This presentation explores the concepts of quantum annealing and digital annealing,
focusing on the QUBO (Quadratic Unconstrained Binary Optimization) formulation and
Ising models, which are essential for the operation of hardware such as the D-Wave
quantum annealer and the Fujitsu digital annealer (DA). The characteristics of these
two hardware platforms are introduced, providing a foundation for understanding
their unique capabilities. The talk then delves into their applications in chemistry and
biology, including predicting chemical properties, virtual screening of chemical spaces,
optimizing reaction conditions for enhanced production yields, tackling transcription
factor-DNA binding problems, and addressing classification challenges in
computational biology. Furthermore, the presentation discusses the types of problems
best suited for quantum and digital annealers, as well as the inherent limitations of
these technologies.
 
Biography
I completed my undergraduate studies in Life Sciences at National Taiwan University (NTU). Then, I entered the Graduate Institute of Biomedical Electronics and Bioinformatics Program at NTU, specializing in areas such as drug discovery, machine learning, and cheminformatics. I gained hands-on experience in the early stages of
drug development. Starting in my third year of Ph.D. studies, I began learning quantum computing. My dissertation involved using Grover's algorithm to compare chemical patents for duplicate compounds. Additionally, I conducted research on chemical structure identification and reaction condition optimization using the Fujitsu Digital Annealer (DA). I also served as an assistant professor for one year in the Master Program in Intelligent Computing and Big Data at Chung Yuan Christian University.

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