Dear all,

The foundation of Beijing National Laboratory for Molecular Sciences (BNLMS) was officially approved by the Ministry of Science and Technology of the People's Republic of China in November 2017. Theoretical and Computational Chemistry is an important field that BNLMS aims to support.

The first BNLMS Symposium of Theoretical and Computational Chemistry serves as a joint-workshop among several universities/institutes. It will be held during August 4-6, 2018 at the College of Chemistry and Molecular Engineering, Peking University, Beijing. The three-day symposium will focus on recent advances in various frontiers in electronic structure theory, statistical mechanics, and dynamics.

Institute of Theoretical and Computational Chemistry

Confirmed Invited Speakers

  • Peking University
    • Yiqin Gao (gaoyq (AT) pku.edu.cn)
      "A phase separation mechanism for chromatin structure formation in development and differentiation"
    • Hong Jiang (jianghchem (AT) pku.edu.cn)
      "First-principles approaches to electronic band structure of materials"
    • Jian Liu (jianliupku (AT) pku.edu.cn)
      "An exact approach for quantum statistics of multi-electronic-state systems & A unified theoretical framework for mapping models of the multi-state Hamiltonian"
    • Wenjian Liu (liuwjbdf (AT) gmail.com)
      "The static-dynamic-static framework for strongly correlated electrons"
  • Institute of Chemistry
    • Qiang Shi (qshi (AT) iccas.ac.cn)
      "Charge and excitation energy transfer dynamics in condensed phases: Non-perturbative hierarchical equations of motion approach"
  • Boston University
    • David Coker (coker (AT) bu.edu)
      "First Principles Model Hamiltonian Ensembles: Quantum Dynamics, Non-linear Spectroscopy and Energy and Charge Transport in Complex Molecular Systems"
    • Qiang Cui (qiangcui (AT) bu.edu)
      "TBA"
  • University of Wisconsin-Madison
    • Arun Yethiraj (yethiraj (AT) wisc.edu)
      "Polymers in ionic liquids"
  • New York University
    • Zlatko Bacic (zlatko.bacic (AT) nyu.edu)
      "Explaining the symmetry breaking observed in the solid endofullerenes M@C60 (M = H2, HF, H2O) and its spectroscopic manifestations"
    • Will Glover (william.glover (AT) nyu.edu)
      "Smoothing out excited state dynamics with dynamically weighted multiconfigurational self-consistent field"
    • Xiang Sun (xiang.sun (AT) nyu.edu)
      "Photo-induced Charge Transfer Dynamics via the Linearized Semiclassical Method"
    • Mark Tuckerman (mark.tuckerman (AT) nyu.edu)
      "Molecular dynamics based exploration and learning of free energy surfaces of molecular crystals and oligopeptides"
    • John Zhang (John.Zhang (AT) nyu.edu)
      "Free energy calculates in biomolecular simulations"
  • Duke University
    • Volker Blum (volker.blum (AT) duke.edu)
      "All-electron theory of new chalcogenides and new organic-inorganic perovskite semiconductors"
    • Weitao Yang (weitao.yang (AT) duke.edu)
      "Localized Orbital Scaling Correction for Systematic Elimination of Delocalization and Static Correlation Error in Density Functional Approximations"
  • University of Minnesota
    • Jiali Gao (jiali (AT) jialigao.org)
      "Multistate density functional theory for energy and charge transfer"
  • Max Planck Institute of Microstructure Physics
    • E. K. U. Gross (hardy (AT) mpi-halle.mpg.de)
      "Towards a systematic way of treating non-adiabatic dynamics"
  • Aalto University
    • Patrick Rinke (patrick.rinke (AT) aalto.fi)
      "Theoretical Spectroscopy: news on GW and beyond"
  • Princeton University
    • Roberto Car (rcar (AT) princeton.edu)
      "Variational Monte Carlo Renormalization Group, a new approach to study quenched disordered models"
  • Massachusetts Institute of Technology
    • Jianshu Cao (jianshu (AT) mit.edu)
      "Coherent Excitation Energy Transfer in Light-Harvesting Systems"
  • University of Arkansas
    • Feng Wang (fengwang (AT) uark.edu)
      "MP2 hydration free energy of simple salts and efficient centroid molecular dynamics through force matching"

Important Dates

  • Registration deadline: July 28, 2018
  • Abstract submission deadline: July 28, 2018

Sponsors