Kosuke Nakano’s website.¶
Last update: Dec 20, 2021
I am currently studying the first-principles Quantum Monte Carlo (FP-QMC) and its applications in Japan Advanced Institute of Science and Technology (JAIST/Japan) and International School for Advanced Studies (SISSA/Italy). I am one of the developers of an ab-initio QMC code “TurboRVB”. So far, I have synthesized several novel superconductors using solid-state reactions, revealed electronic and phonon properties of various materials using the density functional theory, and tried materials Informatics based on the density functional theory and machine-learning techniques.
(07 Dec. 2021) My paper (co-author) “High-Tc Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks” has been published in Chem. Mater. (IF=9.811/2021).
(12 Jul. 2021) I have organized Summer School on Quantum Monte Carlo methods 2021, TurboRVB workshop (held on 12-16 July 2021) at SISSA (Italy)!
(02 Jul. 2021) My paper (co-author) “High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations” has been published in J. Phys. Chem. C (IF=4.126/2021).
(31 Mar. 2021) My paper (co-author) “A quantum annealing approach to ionic diffusion in solids” has been published in Sci. Rep. (IF=4.379/2021).
(26 Mar. 2021) My paper (co-author) “Stochastic Estimations of the Total Number of Classes for a Clustering having Extremely Large Samples to be Included in the Clustering Engine” has been published in Adv. Theory Simul. (IF=4.004/2021).
(15 Mar. 2021) My paper (first author) “Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculation” has been published in Phys. Rev. B (IF=3.575/2021). This paper has been selected as an Editors’ Suggestion.
(11 Feb. 2021) My paper (co-author) “GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method” has been published in AIP Adv. (IF=1.337/2021).
(27 Jan. 2021) My paper (co-author) “Pressure-Induced Collapse Transition in BaTi2Pn2O (Pn = As, Sb) with an Unusual Pn–Pn Bond Elongation” has been published in Inorg. chem. (IF=4.825/2021).
(19 Aug. 2020) My paper (co-author) “General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants” has been published in J. Chem. Theory Comput. (IF=5.011/2020).
(18 Aug. 2020) My paper (co-author) “Hydride-Reduced Eu2SrFe2O6: A T‐to-T′ Conversion Enabling Fe2+ in Square-Planar Coordination” has been published in Inorg. Chem. (IF=4.850/2020).
(29 May 2020) My paper (first author) “TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo” has been published in J. Chem. Phys. (IF=2.997/2020). This achievement has been press-released (JP/EN) from my institution!
(07 Apr. 2020) My paper (first author) “Speeding up ab initio diffusion Monte Carlo simulations by a smart lattice regularization” has been published in Phys. Rev. B (IF=3.736/2020).
(02 Dec. 19) I am assigned to an assistant professor of Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology (JAIST).
(01 Aug. 19) I have got a JSPS Overseas Research Fellowship for FY2020 (2020/9-2022/8).
(20 May. 19) My paper (first author) “All-electron quantum Monte Carlo with Jastrow single determinant Ansatz: application to the sodium dimer” has been published in J. Chem. Theory Comput. (IF=5.399/2019).
(01 Dec. 18) I am assigned to Postdoctoral Research Associate in Prof. Sandro Sorella lab. at SISSA (Italy).
(20 Nov. 18) I left Innovative Technology Research Center of AGC Inc. where I have been working for four and half years as a researcher.
(15 Nov. 18) My paper (co-author) “High‐Pressure Synthesis of A2NiO2Ag2Se2 (A=Sr, Ba) with a High‐Spin Ni2+ in Square‐Planar Coordination” has been published in Angew. Chem. Int. Ed. (IF=12.102/2019).
(08 Nov. 18) My paper (first author) “Estimation of maximum absorption wavelength of polymethine dyes in visible and near-infrared region based on time-dependent density functional theory” has been published in published in Chem. Phys. (IF=1.707/2019).
(17 Mar. 18) I made a presentation about the performance of DFT for optical constants of semiconductors in Japan Society of Applied Physics anual meeting .
(03 Jan. 18) My paper (first author) “Assessing the performance of the Tran–Blaha modified Becke–Johnson exchange potential for optical constants of semiconductors in the ultraviolet–visible light region” has been published in published in J. Appl. Phys. (IF=2.176/2018).
(22 Dec. 17) I have got Ph.D in Computer and Information science!
(21 Dec. 17) My paper (co-author) has been published in J. Am. Chem. Soc. (IF=13.858/2017).
(02 Nov. 17) My paper (first author) “Investigation into Structural Phase Transitions in Layered Titanium-Oxypnictides by a Computational Phonon Analysis” has been published in Inorg. Chem. (IF=4.857/2017).
(10 Apr. 17) My paper (co-author) “Hypervalent Bismuthides La3MBi5 (M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity” has been published in Inorg. Chem. (IF=4.857/2017).
(19 Jul. 16) My paper (first author) “Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors” has been published in Sci. Rep. (IF=5.228/2016).