Computational Chemistry Postdoctoral Researcher

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Summary:

Postdoctoral Researcher: Development and Application of Advanced Mathematical Techniques in Quantum Chemistry Simulations


Position Overview: 
Dr. Ka Un Lao’s research group in the Department of Chemistry at Virginia Commonwealth University (VCU) is seeking a highly motivated postdoctoral researcher to contribute to innovative research at the intersection of advanced mathematical methods and quantum chemistry. The primary focus will be on developing and applying Grassmannian methods integrated with electronic structure theory to accelerate quantum chemistry simulations. The research aims to enhance the computational efficiency, accuracy, and scalability of electronic structure methods. The successful candidate will work in a dynamic, interdisciplinary team, contributing to the advancement of quantum chemistry and its application to complex chemical systems.

Typical Duties

1. Integration of Grassmannian Methods with Electronic Structure Theory: Design and implement advanced mathematical techniques, including Grassmannian methods, to enable more efficient and accurate simulations of large, complex chemical systems.
2. Software Development and Implementation: Integrate the developed algorithms into quantum chemistry software packages, such as Q-Chem.
3. Mentorship and Training: Provide guidance and mentorship to graduate students in the group, focusing on advanced computational chemistry techniques.

Minimum Qualifications

1. Educational Requirements: A Ph.D. in Chemistry, Physics, Applied Mathematics, or a closely related field, with a focus on computational chemistry, quantum chemistry, and electronic structure theory.
2. Technical Expertise: A strong background in quantum chemistry and electronic structure theory.
3. Computational Skills: Proficiency in programming languages such as Python, C , or Fortran, with experience in high-performance computing (HPC) environments. 
4. Research Experience: Proven experience in algorithm development and computational chemistry software.

Ka Un Lao, Ph.D.
laoku@vcu.edu