Kosuke Nakano’s website.

Last update: Jun 01, 2020


About me

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.


  • 2020/05/29 My paper (first author) “TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo” has been published in Journal Chemical Physics (IF=2.997/2020). This achievement has been press-released (JP/EN) from my institution!
  • 2020/04/07 My paper (first author) “Speeding up ab initio diffusion Monte Carlo simulations by a smart lattice regularization” has been published in Physical Review B (IF=3.736/2020).
  • 2019/12/02 I am assigned to an assistant professor of Graduate School of Advanced Science and Technology, Japan Advanced Institute of Science and Technology (JAIST).
  • 2019/08/01 I have got a JSPS Overseas Research Fellowship for FY2020 (2020/9-2022/8).
  • 2019/05/20 My paper (first author) “All-electron quantum Monte Carlo with Jastrow single determinant Ansatz: application to the sodium dimer” has been published in Journal of Chemical Theory and Computation (IF=5.399/2019).
  • 2018/12/01 I am assigned to Postdoctoral Research Associate in Prof. Sandro Sorella lab. at SISSA (Italy).
  • 2018/11/20 I left Innovative Technology Research Center of AGC Inc. where I have been working for four and half years as a researcher.
  • 2018/11/15 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 Angewandte Chemie International Edition (IF=12.102/2019).
  • 2018/11/08 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 Chemical Physics (IF=1.707/2019).
  • 2018/03/17 I made a presentation about the performance of DFT for optical constants of semiconductors in Japan Society of Applied Physics .
  • 2018/01/03 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 Journal of Applied Physics (IF=2.176/2018).
  • 2017/12/22 I have obtained Ph.D in Computer and Information science!
  • 2017/12/21 My paper (co-author) has been published in Journal of the American Chemical Society (IF=13.858/2017).
  • 2017/11/02 My paper (first author) “Investigation into Structural Phase Transitions in Layered Titanium-Oxypnictides by a Computational Phonon Analysis” has been published in Inorganic Chemistry (IF=4.857/2017).
  • 2017/04/10 My paper (co-author) “Hypervalent Bismuthides La3MBi5(M = Ti, Zr, Hf) and Related Antimonides: Absence of Superconductivity” has been published in Inorganic Chemistry (IF=4.857/2017).
  • 2016/07/19 My paper (first author) “Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors” has been published in Scientific Reports (IF=5.228/2016).