Publications by authors named "David Bowler"

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Single-Atom Control of Arsenic Incorporation in Silicon for High-Yield Artificial Lattice Fabrication.
Taylor J Z Stock, Oliver Warschkow, Procopios C Constantinou, David R Bowler, Steven R Schofield

Adv Mater· June 2024

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Emergence of metallic surface states and negative differential conductance in thin-FeSifilms on Si(001).
Keisuke Sagisaka, Tomoko Kusawake, David Bowler, Shinya Ohno

J Phys Condens Matter· February 2023

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Origin of Ferroelectric Domain Wall Alignment with Surface Trenches in Ultrathin Films.
Jack S Baker, David R Bowler

Phys Rev Lett· December 2021

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Notes on density matrix perturbation theory.
Lionel A Truflandier, Rivo M Dianzinga, David R Bowler

J Chem Phys· October 2020

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Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs.
Teruo Hirakawa, David R Bowler, Tsuyoshi Miyazaki, Yoshitada Morikawa, Lionel A Truflandier

J Comput Chem· August 2020

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Large scale and linear scaling DFT with the CONQUEST code.
Ayako Nakata, Jack S Baker, Shereif Y Mujahed, Jack T L Poulton, Sergiu Arapan, David R Bowler

J Chem Phys· April 2020

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DFT study of undoped and As-doped Si nanowires approaching the bulk limit.
Chathurangi Kumarasinghe, David R Bowler

J Phys Condens Matter· January 2020

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Author Correction: Gate controlling of quantum interference and direct observation of anti-resonances in single molecule charge transport.
Yueqi Li, Marius Buerkle, Guangfeng Li, Ali Rostamian, Hui Wang, David R Bowler

Nat Mater· January 2020

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Gate controlling of quantum interference and direct observation of anti-resonances in single molecule charge transport.
Yueqi Li, Marius Buerkle, Guangfeng Li, Ali Rostamian, Hui Wang, David R Bowler

Nat Mater· April 2019

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High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene-metal interfaces.
Carlos Romero-Muñiz, Ayako Nakata, Pablo Pou, David R Bowler, Tsuyoshi Miyazaki

J Phys Condens Matter· December 2018

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Structural properties of silicon-germanium and germanium-silicon core-shell nanowires.
Conn O'Rourke, Shereif Y Mujahed, Chathurangi Kumarasinghe, Tsuyoshi Miyazaki, David R Bowler

J Phys Condens Matter· November 2018

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Reaction paths of alane dissociation on the Si(0 0 1) surface.
Richard Smith, David R Bowler

J Phys Condens Matter· March 2018

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Atomic layer doping of Mn magnetic impurities from surface chains at a Ge/Si hetero-interface.
Koichi Murata, Christopher Kirkham, Satoshi Tsubomatsu, Takashi Kanazawa, Kiyofumi Nitta, David R Bowler

Nanoscale· December 2017

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Effects of the Hubbard U on density functional-based predictions of BiFeO properties.
J Kane Shenton, David R Bowler, Wei Li Cheah

J Phys Condens Matter· November 2017

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Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.
Teruo Hirakawa, Teppei Suzuki, David R Bowler, Tsuyoshi Miyazaki

J Phys Condens Matter· October 2017

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Efficient Calculation of Electronic Structure Using O(N) Density Functional Theory.
Ayako Nakata, Yasunori Futamura, Tetsuya Sakurai, David R Bowler, Tsuyoshi Miyazaki

J Chem Theory Comput· September 2017

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Importance of bulk states for the electronic structure of semiconductor surfaces: implications for finite slabs.
Keisuke Sagisaka, Jun Nara, David Bowler

J Phys Condens Matter· April 2017

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Dopant activation mechanism of Bi wire-δ-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory.
Koichi Murata, Christopher Kirkham, Masaru Shimomura, Kiyofumi Nitta, Tomoya Uruga, David R Bowler

J Phys Condens Matter· April 2017

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Raoult's law revisited: accurately predicting equilibrium relative humidity points for humidity control experiments.
Michael G Bowler, David R Bowler, Matthew W Bowler

J Appl Crystallogr· April 2017

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Communication: Generalized canonical purification for density matrix minimization.
Lionel A Truflandier, Rivo M Dianzinga, David R Bowler

J Chem Phys· March 2016

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Optimized multi-site local orbitals in the large-scale DFT program CONQUEST.
Ayako Nakata, David R Bowler, Tsuyoshi Miyazaki

Phys Chem Chem Phys· December 2015

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Linear scaling density matrix real time TDDFT: Propagator unitarity and matrix truncation.
Conn O'Rourke, David R Bowler

J Chem Phys· September 2015

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Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms.
Michiaki Arita, David R Bowler, Tsuyoshi Miyazaki

J Chem Theory Comput· December 2014

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Efficient Calculations with Multisite Local Orbitals in a Large-Scale DFT Code CONQUEST.
Ayako Nakata, David R Bowler, Tsuyoshi Miyazaki

J Chem Theory Comput· November 2014

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Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures.
Richard Smith, Veronika Brázdová, David R Bowler

J Phys Condens Matter· July 2014

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