David R. Bowler

发表

Appendix A: Unix

Veronika Brázdová, David R. Bowler, 2013 .

Appendix B: Scientific Computing

Veronika Brázdová, David R. Bowler, 2013 .

Planning a Project

Veronika Brázdová, David R. Bowler, 2013 .

An efficient and robust technique for achieving self consistency in electronic structure calculations

David R. Bowler, Michael J. Gillan, M. Gillan, 2000 .

Coordinates and Simulation Cell

David R. Bowler, Veronika Brázdová, 2013 .

Recent progress in linear scaling ab initio electronic structure techniques

David R. Bowler, Tsuyoshi Miyazaki, Michael J. Gillan, 2002 .

Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs

Yoshitada Morikawa, David R. Bowler, Teruo Hirakawa, 2020, J. Comput. Chem..

Large-scale DFT calculations using multi-site support functions in CONQUEST

David R. Bowler, Ayako Nakata, Tsuyoshi Miyazaki, 2017 .

Parallel sparse matrix multiplication for linear scaling electronic structure calculations

David R. Bowler, Tsuyoshi Miyazaki, Michael J. Gillan, 2001 .

Large-scale DFT Calculations with the CONQUEST Code

David R. Bowler, Tsuyoshi Miyazaki, Takahisa Ohno, 2009 .

Introducing Equations to Describe the System

David R. Bowler, Veronika Brázdová, 2013 .

Looking at Output Files

Veronika Brázdová, David R. Bowler, 2013 .

Large-scale DFT simulations with a linear-scaling DFT code CONQUEST on K-computer

Tsuyoshi Miyazaki, David R. Bowler, Michiaki Arita, 2014 .

Highly accurate local basis sets for large-scale DFT calculations in conquest

Tsuyoshi Miyazaki, David R. Bowler, Sushma Yadav, 2019, Japanese Journal of Applied Physics.

Forward and Reverse Engineering

P. H. Ladbrooke, J. P. Bridge, David R. Bowler, 1994 .

Setting Up and Running the Calculation

David R. Bowler, Veronika Brázdová, 2013 .

Workshop report. Linear-Scaling Ab Initio Calculations: Applications and Future Directions

David R. Bowler, Chris-Kriton Skylaris, Jean-Luc Fattebert, 2007 .

A Comparison of Linear Scaling Tight Binding Methods

David R. Bowler, Andrew P. Horsfield, M. Aoki, 1997 .

The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

David R. Bowler, Tsuyoshi Miyazaki, Takahisa Ohno, 2008 .

Recent Progress in First Principles O(N) Methods

David R. Bowler, Michael J. Gillan, D. Bowler, 2000 .

Accuracy of order-N density-functional theory calculations on DNA systems using CONQUEST

David R. Bowler, Tsuyoshi Miyazaki, Takahisa Ohno, 2008 .

The Nuts and Bolts

David R. Bowler, Veronika Brázdová, D. Bowler, 2013 .

Hydrogen diffusion on Si(001) studied with the local density approximation and tight binding

David R. Bowler, Andrew P. Horsfield, C. M. Goringe, 1998 .

Density functional calculations of Ge(105): Local basis sets and O(N) methods

David R. Bowler, Tsuyoshi Miyazaki, Michael J. Gillan, 2007 .

Practical methods for ab initio calculations on thousands of atoms

David R. Bowler, I. J. Bush, Michael J. Gillan, 1999 .

Density matrices in O(N) electronic structure calculations: theory and applications

David R. Bowler, Michael J. Gillan, M. Gillan, 1998 .

Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10,000+ atoms

David R. Bowler, Michiaki Arita, Tsuyoshi Miyazaki, 2014 .

A linear scaling DFT study of the growth of a new \{105\} facet layer on a Ge hut cluster

David R. Bowler, Tsuyoshi Miyazaki, Sergiu Arapan, 2015 .

David R. Bowler, Andrew P. Horsfield, Andrew J. Fisher, 2005 .

Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST

David R. Bowler, Antonio S. Torralba, Tsuyoshi Miyazaki, 2008 .

Recent progress with large‐scale ab initio calculations: the CONQUEST code

David R. Bowler, Tsuyoshi Miyazaki, Michael J. Gillan, 2006 .

Length-scale ill conditioning in linear-scaling DFT

David R. Bowler, M. J. Gillan, M. Gillan, 1998 .

Tight-binding modelling of materials

David R. Bowler, C. M. Goringe, D. Bowler, 1997 .

Introductory Remarks: Linear Scaling Methods

David R. Bowler, Chris-Kriton Skylaris, Jean-Luc Fattebert, 2008 .