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Her research is focused on computational simulations of solid state surfaces and interfaces, using mainly density functional theory. She has been collaborating closely with experimental groups. She is also an experienced programmer, particularly in Fortran 90 and the Message Passing Interface.

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She has supervised many undergraduate students taking their first steps in computational physics. David R.

[PDF] Atomistic Computer Simulations: A Practical Guide - Semantic Scholar

Bowler received his D. He has driven the development of the massively-parallel linear scaling density functional theory code, Conquest, and collaborates extensively with experimental groups on the growth and properties of nanostructures on semiconductor surfaces.


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MPI and mpirun. Her research is focused on computational simulations of solid state surfaces and interfaces, using mainly density functional theory.

Lec 18 - MIT 3.320 Atomistic Computer Modeling of Materials

She has been collaborating closely with experimental groups. She is also an experienced programmer, particularly in Fortran 90 and the Message Passing Interface. She has supervised many undergraduate students taking their first stepsin computational physics.

TYC Researchers publish book on the Theory of Atomistic Simulations

For more information go to www. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations.

As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies.