Articles with public access mandates - Kosuke NakanoLearn more
Not available anywhere: 1
Key Role of Metal-to-Metal Charge Transfer Transition between Mo6+ and Bi3+ for Enhancement in NIR Luminescence of Gd2MoO6:Bi,Yb Nanophosphor
T Hangai, T Hasegawa, J Xu, T Nakanishi, T Takeda, K Nakano, K Hongo, ...
The Journal of Physical Chemistry C 128 (8), 3351-3360, 2024
Mandates: US Department of Defense, US National Institutes of Health, Japan Science …
Available somewhere: 34
Valence band engineering of layered bismuth oxyhalides toward stable visible-light water splitting: Madelung site potential analysis
D Kato, K Hongo, R Maezono, M Higashi, H Kunioku, M Yabuuchi, ...
Journal of the American Chemical Society 139 (51), 18725-18731, 2017
Mandates: US Department of Defense
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
K Nakano, C Attaccalite, M Barborini, L Capriotti, M Casula, E Coccia, ...
The Journal of Chemical Physics 152 (20), 2020
Mandates: US Department of Energy, US Department of Defense, European Commission …
Quantum phase diagram of high-pressure hydrogen
L Monacelli, M Casula, K Nakano, S Sorella, F Mauri
Nature Physics 19 (6), 845-850, 2023
Mandates: European Commission, Government of Italy
High-pressure hydrogen by machine learning and quantum Monte Carlo
A Tirelli, G Tenti, K Nakano, S Sorella
Physical Review B 106 (4), L041105, 2022
Mandates: European Commission, Government of Italy
High-Tc Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks
P Song, Z Hou, PB Castro, K Nakano, K Hongo, Y Takano, R Maezono
Chemistry of Materials 33 (24), 9501-9507, 2021
Mandates: US Department of Defense
High-pressure mg–sc–h phase diagram and its superconductivity from first-principles calculations
P Song, Z Hou, P Baptista de Castro, K Nakano, K Hongo, Y Takano, ...
The Journal of Physical Chemistry C 126 (5), 2747-2755, 2022
Mandates: US Department of Defense, Department of Science & Technology, India
The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure
P Song, Z Hou, PB de Castro, K Nakano, Y Takano, R Maezono, K Hongo
Advanced Theory and Simulations 5 (3), 2100364, 2022
Mandates: US Department of Defense, Department of Science & Technology, India
Speeding up ab initio diffusion Monte Carlo simulations by a smart lattice regularization
K Nakano, R Maezono, S Sorella
Physical Review B 101 (15), 155106, 2020
Mandates: US Department of Defense, Department of Science & Technology, India …
Potential high-Tc superconductivity in YCeHx and LaCeHx under pressure
P Song, Z Hou, K Nakano, K Hongo, R Maezono
Materials Today Physics 28, 100873, 2022
Mandates: US Department of Defense
General correlated geminal ansatz for electronic structure calculations: Exploiting Pfaffians in place of determinants
C Genovese, T Shirakawa, K Nakano, S Sorella
Journal of Chemical Theory and Computation 16 (10), 6114-6131, 2020
Mandates: Government of Italy
Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations
K Nakano, T Morresi, M Casula, R Maezono, S Sorella
Physical Review B 103 (12), L121110, 2021
Mandates: US Department of Defense, Department of Science & Technology, India, Agence …
All-electron quantum Monte Carlo with Jastrow single determinant ansatz: Application to the sodium dimer
K Nakano, R Maezono, S Sorella
Journal of Chemical Theory and Computation 15 (7), 4044-4055, 2019
Mandates: US Department of Defense
TREXIO: A file format and library for quantum chemistry
E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, ...
The Journal of chemical physics 158 (17), 2023
Mandates: European Commission
Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo
K Nakano, A Raghav, S Sorella
The Journal of Chemical Physics 156 (3), 2022
Mandates: European Commission, Government of Italy
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz
A Raghav, R Maezono, K Hongo, S Sorella, K Nakano
Journal of Chemical Theory and Computation 19 (8), 2222-2229, 2023
Mandates: European Commission
Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs
Y Nikaido, T Ichibha, K Hongo, FA Reboredo, KCH Kumar, P Mahadevan, ...
The Journal of Physical Chemistry C 126 (13), 6000-6007, 2022
Mandates: US Department of Energy, US Department of Defense, Department of Science …
Shry: Application of Canonical Augmentation to the Atomic Substitution Problem
GI Prayogo, A Tirelli, K Utimula, K Hongo, R Maezono, K Nakano
Journal of Chemical Information and Modeling 62 (12), 2909-2915, 2022
Mandates: US Department of Defense, Government of Italy, Japan Science and Technology …
Feature space of XRD patterns constructed by an autoencoder
K Utimula, M Yano, H Kimoto, K Hongo, K Nakano, R Maezono
Advanced Theory and Simulations 6 (2), 2200613, 2023
Mandates: US Department of Defense, Department of Science & Technology, India
Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu (111) surface
T Murono, K Hongo, K Nakano, R Maezono
Surfaces and Interfaces 34, 102342, 2022
Mandates: US Department of Defense, Department of Science & Technology, India
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