News

Academic Reports

• New world records for large-scale molecular simulations on classical and quantum computers

Dr. Nike Dattani

Center for Astrophysics, Harvard University, USA.

Time: January 16, 2018 15:00

Place: Inorganic-Supramolecular Building, round lecture hall, ground floor.

Academic Reports

• Quantum Aspects of H+ Motion: From Quantum Confinement to Fermi Resonance and Beyond

Dr. Jer-Lai Kuo

Institute of Atomic and Molecular Sciences, Academia Sinica

Time: April 15, 2016 9:00－10:00

Place: Sci. and Tech. Building 314

• Efficient Numerical Methods for the Time-Dependent Schrödinger Equation

Dr. Zhigang Sun

Dalian Institute of Chemical Physics, CAS

Time: April 15, 2016 10:00－11:00

Place: Sci. and Tech. Building 314

Academic Lectures

• Computational Molecular Spectroscopy: A Developing New Field

Prof. Tsuneo Hirano

Ochanomizu University, Japan

Time: 9:30~10:15, August 10

Address: Inorganic-Supramolecular Building A501

• Predicting the Solvation Free energy of Simple Ions with Only Electronic Structure Information as References

Prof. Feng Wang

University of Arkansas, USA

Time: 10:30~11:15, August 10

Address: Inorganic-Supramolecule Building A501

Prof. Marcel Nooijen visiting us!

Prof. Marcel Nooijen from University of Waterloo will visit us and address lectures:

• June 15, 2015 (Mon), 09:00, Lecture Room on the 3rd floor in the SciTech Building, Jilin University North Campus:
  Multireference equation of motion coupled cluster theory: A transform and diagonalize approach to electronic structure.
• June 17, 2015 (Wedn), 09:00, Lecture Room on the 3rd floor in the SciTech Building, Jilin University North Campus:
  a) Single reference coupled cluster approaches for excited states: (Similarity Transformed) Equation of Motion Coupled Cluster Theory;
  b) Bond breaking using modifications of CCSD.
• June 19, 2015 (Fri), 09:00, Lecture Room on the 3rd floor in the SciTech Building, Jilin University North Campus:
  First principles simulations of electronic spectroscopy: vibronic models and non-adiabatic dynamics.

Prof. Nooijen focuses on developing accurate wave function based electronic structure methods that are applicable to general open-shell systems, in particular transition metal compounds. The electronic structure technique should be coupled to an efficient scheme to describe non-adiabatic nuclear dynamics such that one can make direct comparisons with experimental results.

Welcome to join us!