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Tian Lu(卢天)



Information

Position and Affiliation

Founder and director, Beijing Kein Research Center for Natural Sciences (http://www.keinsci.com)

Research interests and expertise

Achievements in / contribution to the field of computational chemistry

Journal Referee

Nature Chemistry/Communication, Angewandte Chemie, Carbon, J. Phys. Chem. Lett., J. Chem. Phys., Phys. Chem. Chem. Phys., J. Comput. Chem., Inorg. Chem., J. Org. Chem., ACS Catal., and so on (90 journals)

Personal interests

Japanese anime and manga, Music (in particular ACG music and Czech pop & rock), Computer hardware-collection, Programming (especially Fortran)

Representative papers:

  1. Tian Lu, Hongwei Tan, et al., New insights into the activation of Escherichia coli tyrosine kinase revealed by molecular dynamics simulation and biochemical analysis, Biochemistry, 48, 7986-7995 (2009)
  2. Tian Lu*, Feiwu Chen, Multiwfn: A multifunctional wavefunction analyzer, J. Comput. Chem., 33, 580-592 (2012)
  3. Tian Lu, Feiwu Chen*, Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space, J. Phys. Chem. A, 117, 3100-3108 (2013)
  4. Saeedreza Emamian*, Tian Lu*, et al., Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms-in-Molecules Descriptors, Binding Energies, and Energy Components of Symmetry-Adapted Perturbation Theory, J. Comput. Chem., 40, 2868-2881 (2019)
  5. Zeyu Liu, Tian Lu*, Qinxue Chen, Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking, Carbon, 171, 514-523 (2021) DOI: 10.1016/j.carbon.2020.09.048
  6. Tian Lu*, Qinxue Chen, Ultrastrong regulation effect of electric field on all-carboatomic ring, cyclo[18]carbon, ChemPhysChem, 22, 386-395 (2021) DOI: 10.1002/cphc.202000903
  7. Tian Lu*, Qinxue Chen, Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions, Chemistry—Methods, 1, 231-239 (2021) DOI: 10.1002/cmtd.202100007
  8. Tian Lu*, Qinxue Chen, Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems, J. Comput. Chem., 43, 539-555 (2022) DOI: 10.1002/jcc.26812
  9. Tian Lu*, Qinxue Chen, Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory, J. Phys. Chem. A, 127, 7023-7035 (2023) DOI: 10.1021/acs.jpca.3c04374
  10. Tian Lu, A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn, J. Chem. Phys., 161, 082503 (2024) DOI: 10.1063/5.0216272
  11. Tian Lu, Visualization Analysis of Covalent and Noncovalent Interactions in Real Space, Angew. Chem. Int. Ed. (2025) DOI: 10.1002/anie.202504895