List of works - Keitaro Sodeyama

A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution

scientific article published on 01 September 2014

Additive effect on reductive decomposition and binding of carbonate-based solvent toward solid electrolyte interphase formation in lithium-ion battery.

scientific article published on August 2013

Arylpyrrole oligomers as tunable anion receptors

scientific article published on 01 August 2014

Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery.

scientific article published on 19 December 2016

Combined Theoretical and Experimental Studies of Sodium Battery Materials

scientific article published on 29 January 2019

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

scientific article published on 07 March 2016

Efficient algorithm of the transcorrelated method for periodic systems.

scientific article published in March 2012

First-Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells.

scientific article published on 12 November 2017

First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers

scientific article published on 10 August 2015

Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study

scientific article published on 11 March 2020

Life of superoxide in aprotic Li-O₂ battery electrolytes: simulated solvent and counter-ion effects.

scientific article

Liquid electrolyte informatics using an exhaustive search with linear regression

scientific article published on 01 September 2018

Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents

scientific article published on 01 December 2019

Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators.

scientific article published in February 2014

Prediction and optimization of epoxy adhesive strength from a small dataset through active learning

scientific article published on 02 October 2019

Prediction of the coefficient of linear thermal expansion for the amorphous homopolymers based on chemical structure using machine learning

scientific article published in 2021

Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface.

scientific article published on 30 January 2012

Sodium-Ion Intercalation Mechanism in MXene Nanosheets.

scientific article published on 18 February 2016

Superconcentrated electrolytes for a high-voltage lithium-ion battery

scientific article published on 29 June 2016

Surface Properties of CH3NH3PbI3 for Perovskite Solar Cells.

scientific article published on 22 February 2016

Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells.

scientific article published on 12 August 2014

The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics.

scientific article published on 20 December 2016

Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules

scientific article published on 01 September 2013

Two-electron reduction of a Rh-Mo-Rh dithiolato complex to form a triplet ground state associated with a change in CO coordination mode

scientific article published on 01 February 2009

Unusual Passivation Ability of Superconcentrated Electrolytes toward Hard Carbon Negative Electrodes in Sodium-Ion Batteries

scientific article published on 2 August 2017

Unusual stability of acetonitrile-based superconcentrated electrolytes for fast-charging lithium-ion batteries.