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Surface Knowledge: Toward a Predictive Theory of Materials
November/December 2001 (vol. 3 no. 6)
pp. 16-25
To understand how materials function, we must understand how molecules from the environment interact with their surfaces. The authors focus here on advances in materials science, specifically, the development of methodologies that combine density-functional theory with elasticity theory, thermodynamics, or statistical mechanics.
Citation:
Peter Kratzer, Matthias Scheffler, "Surface Knowledge: Toward a Predictive Theory of Materials," Computing in Science and Engineering, vol. 3, no. 6, pp. 16-25, Nov.-Dec. 2001, doi:10.1109/5992.963424
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