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Paul Kent

Oak Ridge National Laboratory

United States

Research Interests

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Articles (19)

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2026

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2023

Collaborators (21)

Debra Bernhardt

University of Queensland

AUSTRALIA

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Jason Lowe-Power

Associate Professor

University of California, Davis

UNITED STATES

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Chongze Hu

Assistant Professor

The University of Alabama

UNITED STATES

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Lubos Mitas

Professor

North Carolina State University

UNITED STATES

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Jingsong Huang

Research Scientist

Oak Ridge National Laboratory

UNITED STATES

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Vincent Meunier

UNITED STATES

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Shern Ren Tee

Lecturer

Griffith University

AUSTRALIA

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Jeffrey Vetter

Corporate Fellow, Section Head

Oak Ridge National Laboratory

UNITED STATES

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Matúš Dubecký

University of Ostrava

CZECH REPUBLIC

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Kayahan Saritas

Staff Scientist

Oak Ridge National Laboratory

UNITED STATES

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Michael Naguib

Professor

Tulane University

UNITED STATES

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Daniel Wines

National Institute of Standards and Technology

UNITED STATES

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Eduard Valeyev

Professor

Virginia Tech

UNITED STATES

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Trevor David Rhone

Professor

UNITED STATES

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Babak Anasori

Assistant Professor

UNITED STATES

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Pascal Friederich

Juniorprofessor

Karlsruhe Institute of Technology

GERMANY

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Neil David Drummond

University of Lancaster

UNITED KINGDOM

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Peter Cummings

Bicentennial Professor

Heriot-Watt University

UNITED KINGDOM

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Raymond Unocic

Associate Professor

North Carolina State University

UNITED STATES

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Yu Xie

Professor

Jilin University

CHINA

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Gustav Bihlmayer

staff scientist

Forschungszentrum Jülich

GERMANY

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Paul Kent

Research Interests

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Articles (19)

Characterizing GPU Energy Usage in Exascale-Ready Portable Science Applications

First-principles investigation of structure-property relationships in stable and metastable MXenes

Altered morphology and diffusivity of water confined in MXenes: machine learning-accelerated computations combined with experiments

Interlayer coupling in two-dimensional MoS2 and phosphorene bilayers: Benchmark quantum Monte Carlo study of interaction energies and quasiparticle band gaps

Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: A benchmark quantum Monte Carlo study

Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods

A Panoramic View of MXenes via an Atomic Coordination‐Based Design Strategy

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

A High-Efficiency Delayed Update Algorithm for Evaluating Slater Determinants in Quantum Monte Carlo

Software stewardship and advancement of a high-performance computing scientific application: QMCPACK

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

Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors

Alkali cation stabilization of defects in 2D MXenes at ambient and elevated temperatures

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

DFT plus <i>U</i> and quantum Monte Carlo study of electronic and optical properties of AgNiO<sub>2</sub> and AgNi<sub>1-<i>x</i></sub>Co<sub><i>x</i></sub>O<sub>2</sub> delafossite

Application Experiences on a GPU-Accelerated Arm-based HPC Testbed

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

Existence of La-site antisite defects in LaMO<sub>3</sub> ( M = Mn, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo

Collaborators (21)

Debra Bernhardt

Jason Lowe-Power

Chongze Hu

Lubos Mitas

Jingsong Huang

Vincent Meunier

Shern Ren Tee

Jeffrey Vetter

Matúš Dubecký

Kayahan Saritas

Michael Naguib

Daniel Wines

Eduard Valeyev

Trevor David Rhone

Babak Anasori

Pascal Friederich

Neil David Drummond

Peter Cummings

Raymond Unocic

Yu Xie

Gustav Bihlmayer

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