Kayahan Saritas

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Quantum Monte Carlo for accurate energies and materials design

Kayahan Saritas, 2017 .

Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for DHA/ VHF Photochromism Using Diffusion Monte Carlo

J. Grossman, Kayahan Saritas, 2017 .

Diffusion Monte Carlo: A pathway towards an accurate theoretical description of manganese oxides

P. Kent, J. Krogel, Kayahan Saritas, 2018, Physical Review Materials.

Magnetism and piezoelectricity in stable transition metal silicate monolayers

S. Ismail-Beigi, Kayahan Saritas, E. Altman, 2020, Physical Review Materials.

Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities Using First-Principles

J. Grossman, Kayahan Saritas, 2015 .

Piezoelectric ferromagnetism in two dimensional FeCl$_2$

S. Ismail-Beigi, Kayahan Saritas, 2022, 2205.00300.

Advances in the development , efficiency , and application of auxiliary field and real-space variational and diffusion Quantum

Rubenstein, Brenda, Joonho Lee, 2020 .

Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for Dihydroazulene/Vinylheptafulvene Photochromism Using Diffusion Monte Carlo

J. Grossman, Kayahan Saritas, 2017 .

Piezoelectric ferromagnetism in two-dimensional materials via materials screening

S. Ismail-Beigi, Kayahan Saritas, S. Ismail‐Beigi, 2022, Physical Review B.

Toward Complete Exfoliation of the Chemisorbed Two-Dimensional Iron Silicates on Ru(0001) via Hydrogenation

S. Ismail-Beigi, Kayahan Saritas, E. Altman, 2022, The Journal of Physical Chemistry C.

Phase Transition Dynamics in a Complex Oxide Heterostructure.

J. Krogel, Qingteng Zhang, Kayahan Saritas, 2022, Physical review letters.

A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.

Kayahan Saritas, C. Ataca, D. Wines, 2020, The Journal of chemical physics.

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.

Edgar Josué Landinez Borda, Joonho Lee, F. Malone, 2020, The Journal of chemical physics.

Twisting and Rippling of a Two-Dimensional Kagome Lattice: Silica on Au(111)

A. Hütten, Kayahan Saritas, E. Altman, 2022, ACS Materials Letters.

A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe2.

J. Krogel, Kayahan Saritas, J. Tiihonen, 2023, The journal of physical chemistry letters.

Intrinsic Ferromagnetism of Two-Dimensional (2D) MnO2 Revisited: A Many-Body Quantum Monte Carlo and DFT+U Study

Kayahan Saritas, C. Ataca, D. Wines, 2021, The Journal of Physical Chemistry C.

Structural, electronic, and magnetic properties of bulk and epitaxial LaCoO3 through diffusion Monte Carlo

J. Krogel, S. Okamoto, Kayahan Saritas, 2019, Physical Review Materials.

Relative energies and electronic structures of CoO polymorphs through ab initio diffusion quantum Monte Carlo

J. Krogel, Kayahan Saritas, F. Reboredo, 2018, Physical Review B.

Work function tuning of tin-doped indium oxide electrodes with solution-processed lithium fluoride

Kayahan Saritas, Taner Aytun, A. Turak, 2014 .

Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors.

Kayahan Saritas, Wenmei Ming, F. Reboredo, 2018, The journal of physical chemistry letters.

A pathway toward high-throughput quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D) GaSxSe1-x.

Kayahan Saritas, C. Ataca, D. Wines, 2021, The Journal of chemical physics.

Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies.

Tim Mueller, Lucas Wagner, Kayahan Saritas, 2017, Journal of Chemical Theory and Computation.

Charge Density and Redox Potential of LiNiO2 Using Ab Initio Diffusion Quantum Monte Carlo

J. Grossman, B. Kozinsky, Eric R. Fadel, 2019, The Journal of Physical Chemistry C.

Existence of La-site antisite defects in [Formula: see text] ([Formula: see text], Fe, and Co) predicted with many-body diffusion quantum Monte Carlo.

P. Kent, J. Krogel, Ye Luo, 2023, Scientific reports.

Advances in the development , efficiency , and application of auxiliary field and real-space variational and diffusion Quantum

Ilkka Kylänpää, Lubos Mitas, Rubenstein, 2020 .

Cr silicate as a prototype for engineering magnetic phases in air-stable two-dimensional transition-metal silicates

Kayahan Saritas, Jin-Cheng Zheng, A. N’Diaye, 2023, 2D Materials.

Experimental and theoretical investigation of the formation of two-dimensional Fe silicate on Pd(111)

Kayahan Saritas, E. Altman, N. Doudin, 2021, Journal of Vacuum Science & Technology A.

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.

Edgar Josué Landinez Borda, Joonho Lee, F. Malone, 2020, The Journal of chemical physics.

JARVIS-Leaderboard: a large scale benchmark of materials design methods

Luke E. K. Achenie, Sterling G. Baird, Shuiwang Ji, 2023, npj Computational Materials.

Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies.

J. Grossman, Tim Mueller, Kayahan Saritas, 2017, Journal of chemical theory and computation.