KS
Kayahan Saritas
cond-mat.mtrl-scicond-mat.str-el2D magnets2D materialsdensity functional theoryphysics.comp-phquantum Monte Carlostrainstrongly correlated materials
On Valency
published · living versionsW_jyc4b53f·v1 · currentpublished
Diffusion Quantum Monte Carlo Benchmark of Interlayer Binding and Charge Redistribution in Chemically Distinct Two-Dimensional Van Der Waals Bilayers
with Hyeonedok Shin, Jaron T. Krogel, Anouar Benali, P. Ganesh +1
1 version
Preprints & journals
23 papers in the corpus · 2017–2026Diffusion Quantum Monte Carlo Benchmark of Interlayer Binding and Charge Redistribution in Chemically Distinct Two-Dimensional Van Der Waals Bilayers2609.05845v1 · Kayahan Saritas, Hyeonedok Shin, Jaron T. Krogel et al.2026 · 0 citationsarXivon Valency
The Role of Intrinsic Defects in the Structural Transition of Superconducting La3Ni2O7: A Many-Body DMC Prediction.42788013 · Ghaffar, Abdul, Saritas, Kayahan, Reboredo, Fernando A2026 · 0 citationsChemistry of materials : a publication of the American Chemical Society. 2026;38(18):9450-9460
Many-Body Destabilization of Intermediate Oxygen-Hole States2608.11388v2 · Anirudh Adavi, Kayahan Saritas, Ming Lei et al.2026 · 0 citationsarXiv
Many-Body Benchmark of Electronic Charge and Spin Densities for Li1-xNiO2.42008821 · Ghaffar, Abdul, Zhang, Shenli, Wan, Liwen F et al.2026 · 1 citationJournal of chemical theory and computation. 2026;22(9):4346-4357
Quantum Monte Carlo and Density Functional Theory Study of Strain and Magnetism in 2D 1T-VSe2 with Charge Density Wave States.40053912 · Wines, Daniel, Ibrahim, Akram, Gudibandla, Nishwanth et al.2025 · 10 citationsACS nano. 2025;19(10):9925-9935
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods2406.02753v2 · Daniel Wines, Jeonghwan Ahn, Anouar Benali et al.2024 · 11 citationsarXiv
Predictions of delafossite-hosted honeycomb and kagome phases.38391147 · Krogel, Jaron T, Ichibha, Tomohiro, Saritas, Kayahan et al.2024 · 1 citationPhysical chemistry chemical physics : PCCP. 2024;26(10):8327-8333
Low-energy electronic interactions in ferrimagnetic Sr2CrReO6 thin films2310.11585v1 · Guillaume Marcaud, Alex Taekyung Lee, Adam J. Hauser et al.2023 · 2 citationsPhys. Rev. B 108, 075132 (2023)
JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods2306.11688v2 · Kamal Choudhary, Daniel Wines, Kangming Li et al.2023 · 66 citationsarXiv
Existence of La-site antisite defects in [Formula: see text] ([Formula: see text], Fe, and Co) predicted with many-body diffusion quantum Monte Carlo.37185382 · Ichibha, Tom, Saritas, Kayahan, Krogel, Jaron T et al.2023 · 11 citationsScientific reports. 2023;13(1):6703
A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe2.37017431 · Wines, Daniel, Tiihonen, Juha, Saritas, Kayahan et al.2023 · 16 citationsThe journal of physical chemistry letters. 2023;14(14):3553-3560
Phase Transition Dynamics in a Complex Oxide Heterostructure.36563221 · Zhang, Qingteng, Hu, Guoxiang, Starchenko, Vitalii et al.2022 · 23 citationsPhysical review letters. 2022;129(23):235701
Piezoelectric ferromagnetism in two dimensional FeCl2205.00300v1 · Kayahan Saritas, Sohrab Ismail-Beigi2022 · 0 citationsarXiv
The intrinsic ferromagnetism of two-dimensional (2D) MnO revisited: A many-body Quantum Monte Carlo and DFT+U study2112.11579v2 · Daniel Wines, Kayahan Saritas, Can Ataca2021 · 17 citationsarXiv
A pathway toward high-throughput quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D) GaSxSe1-x.34800964 · Wines, Daniel, Saritas, Kayahan, Ataca, Can2021 · 11 citationsThe Journal of chemical physics. 2021;155(19):194112
Two-Dimensional Transition Metal Silicate Formed on Ru (0001) by Hydrogenation2110.05629v2 · Kayahan Saritas, Nassar Doudin, Eric I. Altman et al.2021 · 0 citationsarXiv
Magnetism and Piezoelectricity in Stable Transition Metal Silicate Monolayers2011.12938v4 · Kayahan Saritas, Nassar Doudin, Eric I. Altman et al.2020 · 16 citationsarXiv
A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.33092365 · Wines, Daniel, Saritas, Kayahan, Ataca, Can2020 · 42 citationsThe Journal of chemical physics. 2020;153(15):154704
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.32384844 · Kent, P R C, Annaberdiyev, Abdulgani, Benali, Anouar et al.2020 · 150 citationsThe Journal of chemical physics. 2020;152(17):174105
Charge density and redox potential of LiNiO2 using ab initio diffusion quantum Monte Carlo1911.01610v1 · Kayahan Saritas, Eric R. Fadel, Boris Kozinsky et al.2019 · 35 citationsarXiv
Structural, Electronic and Magnetic Properties of Bulk and Epitaxial LaCoO through Diffusion Monte Carlo1908.02811v3 · Kayahan Saritas, Jaron T. Krogel, Satoshi Okamoto et al.2019 · 17 citationsarXiv
Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors.30418779 · Saritas, Kayahan, Ming, Wenmei, Du, Mao-Hua et al.2019 · 19 citationsThe journal of physical chemistry letters. 2019;10(1):67-74
Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies.28358499 · Saritas, Kayahan, Mueller, Tim, Wagner, Lucas et al.2018 · 24 citationsJournal of chemical theory and computation. 2017;13(5):1943-1951
Career total: 63 works. 23 are in this corpus.
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