Yukichi Kitamura

The number-adaptive multiscale QM/MM molecular dynamics simulation: Application to liquid water

Norio Takenaka, Yukichi Kitamura, Yoshiyuki Koyano et al. · Chemical Physics Letters · 2011 · 67 citations

Natural Sciences, Chemistry, Physics +10

Self-association of urea in aqueous solutions: A Voronoi polyhedron analysis study

Abdenacer Idrissi, P. Damay, Yukichi Kitamura et al. · The Journal of Chemical Physics · 2008 · 51 citations

Natural Sciences, Biophysics, Chemistry +8

An improvement in quantum mechanical description of solute-solvent interactions in condensed systems via the number-adaptive multiscale quantum mechanical/molecular mechanical-molecular dynamics method: Application to zwitterionic glycine in aqueous solution

Norio Takenaka, Yukichi Kitamura, Yoshiyuki Koyano et al. · The Journal of Chemical Physics · 2012 · 33 citations

Natural Sciences, Chemistry, Physics +17

Reaction path optimization and vibrational frequency analysis via ab initio QM/MM free energy gradient (FEG) method: application to isomerization process of glycine in aqueous solution

Norio Takenaka, Yukichi Kitamura, Yoshiyuki Koyano et al. · Theoretical Chemistry Accounts · 2011 · 28 citations

Natural Sciences, Biochemistry, Chemistry +7

High-resolution observations of turbulence in the subcondensation TMC-1C in Heiles' cloud 2 - Estimation of the velocity spectrum of turbulence

Yukichi Kitamura, K. Sunada, Masahiko Hayashi et al. · The Astrophysical Journal · 1993 · 20 citations

Natural Sciences, Astronomy, Physics +15