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Journal Articles

Low-temperature nucleation rate calculations using the N-Fold way

Federico Ettori, Dipanjan Mandal, David Quigley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124116 (2025)
https://doi.org/10.1063/5.0255066
Published: March 2025
View articletitled, Low-temperature nucleation rate calculations using the N-Fold way
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Journal Articles

Spin migration in density functional theory: Energy, potential, and density perspectives

Editor’s Pick
Alon Hayman, Nevo Levy, Yuli Goshen, Malachi Fraenkel, Eli Kraisler, Tamar Stein
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114301 (2025)
https://doi.org/10.1063/5.0241200
Published: March 2025
View articletitled, Spin migration in density functional theory: Energy, potential, and density perspectives
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Journal Articles

Strong coupling non-Markovian quantum thermodynamics of a finite-bath system

Devvrat Tiwari, Baibhab Bose, Subhashish Banerjee
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114104 (2025)
https://doi.org/10.1063/5.0254029
Published: March 2025
View articletitled, Strong coupling non-Markovian quantum thermodynamics of a finite-bath system
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Journal Articles

Unusual zero field cooled exchange bias and related mechanism in YBaCuFeO5–Ni0.3Zn0.7Fe2O4 composites

A. K. Sahoo, Anupama Pati, Sujata Kumari Ray, Payala Sahoo, Vishal Kumar, Sanjay Singh, S. Dash
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114702 (2025)
https://doi.org/10.1063/5.0249484
Published: March 2025
View articletitled, Unusual zero field cooled exchange bias and related mechanism in YBaCuFeO5–Ni0.3Zn0.7Fe2O4 composites
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Journal Articles

Structural, electronic, and ferroelectric transitions in van der Waals ferroelectric CuInP2Se6 under high temperature and high pressure

Meiling Hong, Lidong Dai, Haiying Hu, Chuang Li, Kaixiang Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 104501 (2025)
https://doi.org/10.1063/5.0251653
Published: March 2025
View articletitled, Structural, electronic, and ferroelectric transitions in van der Waals ferroelectric CuInP2Se6 under high temperature and high pressure
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Journal Articles

Structural refinement and magnetic tuning in cobalt-substituted SrFe12O19 hexaferrite

Moatoshi, C. Borgohain, S. D. Kaushik, J. P. Borah
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054719 (2025)
https://doi.org/10.1063/5.0244691
Published: February 2025
View articletitled, Structural refinement and magnetic tuning in cobalt-substituted SrFe12O19 hexaferrite
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Journal Articles

Optimal control design strategies for pulsed dynamic nuclear polarization

José P. Carvalho, David L. Goodwin, Nino Wili, Anders Bodholt Nielsen, Niels Chr. Nielsen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054111 (2025)
https://doi.org/10.1063/5.0244723
Published: February 2025
View articletitled, Optimal control design strategies for pulsed dynamic nuclear polarization
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Journal Articles

Considerable spin asymmetry of deep valence states induced by partial neutralization of charged SrTiO3(011) surfaces

Larisa E. Borcan, Alexandru-Cristi Iancu, Dana G. Popescu, Cristian M. Teodorescu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054707 (2025)
https://doi.org/10.1063/5.0243885
Published: February 2025
View articletitled, Considerable spin asymmetry of deep valence states induced by partial neutralization of charged SrTiO3(011) surfaces
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Journal Articles

Exploring the equilibrium and non-equilibrium properties of a cooperative trinuclear spin-crossover chain: The role of elastic frustration

Mamadou Ndiaye, Kamel Boukheddaden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034108 (2025)
https://doi.org/10.1063/5.0251758
Published: January 2025
View articletitled, Exploring the equilibrium and non-equilibrium properties of a cooperative trinuclear spin-crossover chain: The role of elastic frustration
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Journal Articles

Desertion of anomalous magnetic transition and emergence of metallic state in Cu doped Eu2Ru2O7 pyrochlore

Soma Chatterjee, I. Das
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244706 (2024)
https://doi.org/10.1063/5.0238254
Published: December 2024
View articletitled, Desertion of anomalous magnetic transition and emergence of metallic state in Cu doped Eu2Ru2O7 pyrochlore
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Journal Articles

Fermionic mean-field theory as a tool for studying spin Hamiltonians

Thomas M. Henderson, Brent Harrison, Ilias Magoulas, Jason Necaise, Andrew M. Projansky, Francesco A. Evangelista, James D. Whitfield, Gustavo E. Scuseria
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 234112 (2024)
https://doi.org/10.1063/5.0242219
Published: December 2024
View articletitled, Fermionic mean-field theory as a tool for studying spin Hamiltonians
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Journal Articles

Magnetic ordering and half-metallicity in hydrogenated graphene-hBN nanoribbons

Maja Varga Pajtler, I. Kovač, M. Topalović, I. Lukačević
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 234701 (2024)
https://doi.org/10.1063/5.0238516
Published: December 2024
View articletitled, Magnetic ordering and half-metallicity in hydrogenated graphene-hBN nanoribbons
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Journal Articles

Infinite ground-state degeneracy of a two-dimensional athermal lattice-gas

Mauro Sellitto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 224102 (2024)
https://doi.org/10.1063/5.0244700
Published: December 2024
View articletitled, Infinite ground-state degeneracy of a two-dimensional athermal lattice-gas
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Journal Articles

General theory of cavity-mediated interactions between low-energy matter excitations

Carlos J. Sánchez Martínez, Frieder Lindel, Francisco J. García-Vidal, Johannes Feist
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194303 (2024)
https://doi.org/10.1063/5.0231058
Published: November 2024
View articletitled, General theory of cavity-mediated interactions between low-energy matter excitations
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Journal Articles

Unveiling hidden scaling relations in dissipative relaxation dynamics of strongly correlated quantum impurity systems

Xu Ding, Daochi Zhang, Hou-Dao Zhang, Xiao Zheng, YiJing Yan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174120 (2024)
https://doi.org/10.1063/5.0236906
Published: November 2024
View articletitled, Unveiling hidden scaling relations in dissipative relaxation dynamics of strongly correlated quantum impurity systems
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Journal Articles

Extracting dynamical maps of non-Markovian open quantum systems

David J. Strachan, Archak Purkayastha, Stephen R. Clark
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154105 (2024)
https://doi.org/10.1063/5.0228428
Published: October 2024
View articletitled, Extracting dynamical maps of non-Markovian open quantum systems
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Journal Articles

Surface weak ferromagnet coupling induced giant room-temperature spontaneous exchange bias in antiferromagnet Fe3BO6 polycrystals

Lifeng Wang, Ling Cai, Xiong He, Fanli Yang, Jie Chen, Lizhi Yi, Min Liu, Yunli Xu, Zhengcai Xia, Liqing Pan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154706 (2024)
https://doi.org/10.1063/5.0225163
Published: October 2024
View articletitled, Surface weak ferromagnet coupling induced giant room-temperature spontaneous exchange bias in antiferromagnet Fe3BO6 polycrystals
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Journal Articles

ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals

Valerii Chuiko, Addison D. S. Richards, Gabriela Sánchez-Díaz, Marco Martínez-González, Wesley Sanchez, Giovanni B. Da Rosa, Michelle Richer, Yilin Zhao, William Adams, Paul A. Johnson, Farnaz Heidar-Zadeh, Paul W. Ayers
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 132503 (2024)
https://doi.org/10.1063/5.0219015
Published: October 2024
View articletitled, ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
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Journal Articles

Test of universality at first order phase transitions: The Lebwohl–Lasher model

Editor’s Pick
Aojie Xue, Jiahao Xu, D. P. Landau, K. Binder
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134107 (2024)
https://doi.org/10.1063/5.0221215
Published: October 2024
View articletitled, Test of universality at first order phase transitions: The Lebwohl–Lasher model
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Journal Articles

Effect of Zn-substitution on magnetic structure of cobalt ferrite nanoparticles

Sonja Jovanović, Nader Yaacoub, Sawssen Slimani, Marjeta Maček Kržmanc, Marija Vukomanović, Matjaž Spreitzer, Davide Peddis, Alexander Omelyanchik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124712 (2024)
https://doi.org/10.1063/5.0226884
Published: September 2024
View articletitled, Effect of Zn-substitution on magnetic structure of cobalt ferrite nanoparticles
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