6 papers
Application and Performance Assessment of Annealing Methods for Electrostatic-Energy-Based Configuration Search in Mixed Crystals
Tack Saquai, Kenta Hongo, Ryo Maezono +1
In first-principles design of solid solutions and disordered materials, exhaustive evaluation of all possible substitutional configurations is often impractical because the number…
High-Tc Superconductivity in Functionalized Out-of-Plane Ordered Double Transition Metal MXenes
Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra +10
Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionali…
Ab initio screening for BCS-type superconductivity in ThCrSi-type compounds
Tom Ichibha, Ryo Maezono, Kenta Hongo
In this study, we applied ab initio calculations to compounds with the ThCrSi-type structure to search for BCS superconductor candidates. From the 1883 compo…
Empowering Neural Network-based Quantum Monte Carlo with Local Pseudopotentials
Weizhong Fu, Ryunosuke Fujimaru, Ruichen Li +9
Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been mainly applied to small systems due to deman…
Electronic transport properties of titanium nitride grown by molecular beam epitaxy
Kosuke Takiguchi, Yoshiharu Krockenberger, Tom Ichibha +4
This study investigates the molecular beam epitaxial (MBE) growth of titanium nitride (TiN) thin films, achieving a high residual resistivity ratio (RRR) of 15.8. We observed a str…
First Principles Calculations of Superconducting Critical Temperature of ThCrSi-Type Structure
Gewinner Senderanto Sinaga, Keishu Utimula, Kousuke Nakano +2
High critical temperature (T) superconductor has a great potential in many industrial applications. However, discovering a compound having high T is still remaining a big c…