Articles by Chris A. Marianetti

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Chris A. Marianetti

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Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO_2 and UO_2

14 February 2025 by Shuxiang Zhou and others

Materials Science

Ab initio elasticity at finite temperature and stress in ferroelectrics

29 February 2024 by Mark Mathis and Chris Marianetti

Materials Science

Phonon thermal transport in UO_2 via self-consistent perturbation theory

29 February 2024 by Shuxiang Zhou and others

Materials Science, Strongly Correlated Electrons

Benchmarking phonon anharmonicity in machine learning interatomic potentials

29 February 2024 by Sasaank Bandi and others

Materials Science

First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2

28 January 2024 by Linu Malakkal and others

Materials Science

Anharmonic phonon behavior via irreducible derivatives: self-consistent perturbation theory and molecular dynamics

18 November 2023 by Enda Xiao and Chris Marianetti

Materials Science

Precise ground state of multi-orbital Mott systems via the variational discrete action theory

7 November 2023 by Zhengqian Cheng and Chris Marianetti

Strongly Correlated Electrons

A gauge constrained algorithm of VDAT at \mathcal{N}=3 for the multi-orbital Hubbard model

28 June 2023 by Zhengqian Cheng and Chris Marianetti

Strongly Correlated Electrons

Magnetism and Metallicity in Moiré Transition Metal Dichalcogenides

27 April 2023 by Patrick Tscheppe and others

Strongly Correlated Electrons

Foundations of the Variational Discrete Action Theory

3 March 2023 by Zhengqian Cheng and Chris Marianetti

Strongly Correlated Electrons

Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phonons

4 May 2022 by Shuxiang Zhou and others

Materials Science, Strongly Correlated Electrons

Thermal Energy Transport in Oxide Nuclear Fuel

28 April 2022 by David Hurley and others

The generalized quasiharmonic approximation via space group irreducible derivatives

28 February 2022 by Mark Mathis and others

Materials Science

Validating First-Principles Phonon Lifetimes via Inelastic Neutron Scattering

22 February 2022 by Enda Xiao and others

Materials Science

Variational Discrete Action Theory

30 November 2020 by Zhengqian Cheng and Chris Marianetti

Strongly Correlated Electrons

Compositional phase stability of correlated electron materials within DFT+DMFT

16 July 2020 by Eric Isaacs and Chris Marianetti

Strongly Correlated Electrons

Off-shell effective energy theory: a unified treatment of the Hubbard model from d=1 to d=\infty

8 November 2019 by Zhengqian Cheng and Chris Marianetti

Strongly Correlated Electrons

A group theoretical approach to computing phonons and their interactions

12 April 2019 by Lyuwen Fu and others

Computational Physics, Materials Science

Structural and metal-insulator transitions in rhenium based double perovskites via orbital ordering

13 December 2017 by Alex Taekyung Lee and Chris Marianetti

Strongly Correlated Electrons

Compositional phase stability of strongly correlated electron materials within DFT+U

10 November 2016 by Eric Isaacs and Chris Marianetti

Strongly Correlated Electrons

Pressure-resistant intermediate valence in Kondo insulator SmB6

7 March 2016 by Nicholas Butch and others

Strongly Correlated Electrons

Electronic correlations in monolayer VS_2

26 February 2016 by Eric Isaacs and Chris Marianetti

Strongly Correlated Electrons

Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO_3 superlattices: a DFT+DMFT study

3 February 2016 by Hyowon Park and others

Applicability of DFT + U to U metal and U-Zr alloy

29 January 2016 by Wei Xie and others

Materials Science

New class of planar ferroelectric Mott insulators via first principles design

29 June 2015 by Chanul Kim and others

Materials Science

Density functional versus spin-density functional and the choice of correlated subspace in multi-variable effective action theories of electronic structure

1 May 2015 by Hyowon Park and others

Strongly Correlated Electrons

Charge transfer across transition metal oxide interfaces: emergent conductance and new electronic structure

2 January 2015 by Hanghui Chen and others

Materials Science, Strongly Correlated Electrons

Density functional plus dynamical mean field theory of the metal-insulator transition in early transition metal oxides

24 September 2014 by Hung Dang and others

Strongly Correlated Electrons

Total energy calculations using DFT+DMFT: computing the pressure phase diagram of the rare earth nickelates

15 September 2014 by Hyowon Park and others

Strongly Correlated Electrons

Computing total energies in complex materials using charge self-consistent DFT+DMFT

15 September 2014 by Hyowon Park and others

Topics

Materials Science Strongly Correlated Electrons Mesoscale and Nanoscale Physics Applied Physics Computational Physics Other Condensed Matter