'Electronic structure calculations' diaporamas de présentation

Electronic Structure Calculations

Electronic Structure Calculations. The CASTEP code. Stewart Clark Department of Physics University of Durham, UK. s.j.clark@durham.ac.uk http://cmt.dur.ac.uk/sjc/. Durham. Where is Durham?. My Research Interests.

473 views • 41 slides

Computational Physics (Lecture 22)

528 views • 35 slides

Growth of metallic nanowires assisted with a tip. Study of their physical properties.

535 views • 31 slides

Blue Gene System and Performance Overview

512 views • 29 slides

Stephen Hill NHMFL and Florida State University, Physics

EPR Studies of Heavy Atom Molecule-Based Magnets. Stephen Hill NHMFL and Florida State University, Physics. Outline of talk: Idea behind the title of this talk Nice recent example: Radical Ferromagnet Mononuclear nanomagnets based on Lanthanide ions CW and pulsed EPR studies of Ho system

509 views • 28 slides

Computing lattice constant, bulk modulus and equilibrium energies of solids

Computing lattice constant, bulk modulus and equilibrium energies of solids. Bulk Si Diamond structure. Information required to run a first-principles simulation. Number and species of the atoms in the unit cell,. Lattice vectors and lattice constants. Position of all the atoms.

343 views • 13 slides

Optical Engineering of Metal Oxides

Optical Engineering of Metal Oxides. Jessica Bristow Department of Chemistry University of Bath E-mail: j.bristow@bath.ac.uk Supervisors: Dr Aron Walsh, Professor Chris Bowen, Professor Frank Marken. A Band Gap. Conduction band. Band gap. e -. Valence band.

301 views • 12 slides

Pratul K. Agarwal

Next Generation Simulations in Biology: Investigating biomolecular structure, dynamics and function through multiscale modeling. Pratul K. Agarwal. Sadaf R. Alam, Dean A. A. Myles, Jeffrey S. Vetter. Why study biomolecules?.

275 views • 11 slides

Major breakthroughs:

Theoretical Study of CO2 Adsorption on Transition Metal Surfaces Carrie A. Farberow, Graduate Student, University of Wisconsin - Madison Advisor: Prof. Manos Mavrikakis, Department of Chemical and Biological Engineering. Technical accomplishments:

113 views • 1 slides