P. Kent

activity

19982026

most citedHybrid Density Functional Study of Structural and Electronic Properties of Functionalized \ce{Ti_{n+1}X_n} (X= C, N) monolayers

630 citations · 3.3k across the 41 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

physics.comp-ph2022★ 5 cited

A High-Performance Design for Hierarchical Parallelism in the QMCPACK Monte Carlo code

Ye Luo, Peter Doak, Paul Kent

We introduce a new high-performance design for parallelism within the Quantum Monte Carlo code QMCPACK. We demonstrate that the new design is better able to exploit the hierarchica…

cond-mat.mtrl-sci2022

DFT+U and Quantum Monte Carlo study of electronic and optical properties of AgNiO $_{2}$ and AgNi $_{1 - x}$ Co $_{x}$ O $_{2}$ delafossite

Hyeondeok Shin, Panchapakesan Ganesh, Paul R. C. Kent +5

As the only semimetallic $d^{10}$ -based delafossite, AgNiO $_{2}$ has received a great deal of attention due to both its unique semimetallicity and its antiferromagnetism in the NiO$_…

A High-Performance Design for Hierarchical Parallelism in the QMCPACK Monte Carlo code

DFT+U and Quantum Monte Carlo study of electronic and optical properties of AgNiO2​ and AgNi1−x​Cox​O2​ delafossite

DFT+U and Quantum Monte Carlo study of electronic and optical properties of AgNiO $_{2}$ and AgNi $_{1 - x}$ Co $_{x}$ O $_{2}$ delafossite