activity
19972026
most citedDiffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides

114 citations · 1.4k across the 75 of their papers we have counts for

collaborators

76 papers

cond-mat.mtrl-sci2026

Superconductivity and Band Topology in Functionalized 2D Hexagonal MBenes

Mohammad Keivanloo, Shashi B. Mishra, Amirreza Shariatmanesh +5

Recently, two-dimensional transition-metal borides (MBenes) have attracted substantial interest due to their promising properties for electrocatalytic applications. Here, we explor…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026★ 1 cited

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…

physics.chem-ph2025

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…

cond-mat.supr-con2025

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…

cond-mat.supr-con2025★ 1 cited

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…