| 1 |
Thermodynamic stability condition can judge whether a nanoparticle dispersion can be considered a solution in a single phase
Shimizu S, Matubayasi N
Journal of Colloid and Interface Science, 575, 472, 2020 |
| 2 |
Transport Properties of Ionic Liquid and Sodium Salt Mixtures for Sodium-Ion Battery Electrolytes from Molecular Dynamics Simulation with a Self-Consistent Atomic Charge Determination
Hakim L, Ishii Y, Matsumoto K, Hagiwara R, Ohara K, Umebayashi Y, Matubayasi N
Journal of Physical Chemistry B, 124(33), 7291, 2020 |
| 3 |
Cavity Particle in Aqueous Solution with a Hydrophobic Solute: Structure, Energetics, and Functionals
Zhang BW, Matubayasi N, Levy RM
Journal of Physical Chemistry B, 124(25), 5220, 2020 |
| 4 |
Solvation Thermodynamics from the Perspective of Endpoints DFT
Levy RM, Matubayasi N, Zhang B
Journal of Physical Chemistry B, 124(52), 11771, 2020 |
| 5 |
Chain-Increment Method for Free-Energy Computation of a Polymer with All-Atom Molecular Simulations
Yamada K, Matubayasi N
Macromolecules, 53(3), 775, 2020 |
| 6 |
MD simulation analysis of resin filling into nano-sized pore formed on metal surface
Mori H, Matubayasi N
Applied Surface Science, 427, 1084, 2018 |
| 7 |
Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions
Mizuguchi T, Matubayasi N
Journal of Physical Chemistry B, 122(13), 3219, 2018 |
| 8 |
The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations
Zhang BW, Cui D, Matubayasi N, Levy RM
Journal of Physical Chemistry B, 122(17), 4700, 2018 |
| 9 |
Resin filling into nano-sized pore on metal surface analyzed by all-atom molecular dynamics simulation over a variety of resin and pore sizes
Mori H, Matubayasi N
Polymer, 150, 360, 2018 |
| 10 |
Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions
Takahashi H, Umino S, Miki Y, Ishizuka R, Maeda S, Morita A, Suzuki M, Matubayasi N
Journal of Physical Chemistry B, 121(10), 2279, 2017 |
