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Starting with minimal information about the constituent atoms, the electronic, structural, vibrational, optical, and even superconducting properties of solids have been calculated accurately. Supercomputers have made these applications possible and have led to new theoretical concepts and techniques. The applications described here focus on the analysis of high-pressure properties of hydrogen, superhard compounds, and semiconductor surfaces. These calculations give results that are consis tent with experimental data, and in some cases success fully predict properties of materials. <\/jats:p>","DOI":"10.1177\/109434209100500102","type":"journal-article","created":{"date-parts":[[2007,3,18]],"date-time":"2007-03-18T05:39:00Z","timestamp":1174196340000},"page":"21-33","source":"Crossref","is-referenced-by-count":0,"title":["Predicting High- Pressure and Excited-State Properties of Real Materials"],"prefix":"10.1177","volume":"5","author":[{"given":"X.W.","family":"Wang","sequence":"first","affiliation":[{"name":"UNIVERSITY OF CALIFORNIA AND LAWRENCE BERKELEY LABORATORY\rBERKELEY, CALIFORNIA 94720"}]},{"given":"Steven G.","family":"Louie","sequence":"additional","affiliation":[{"name":"UNIVERSITY OF CALIFORNIA AND LAWRENCE BERKELEY LABORATORY\rBERKELEY, CALIFORNIA 94720"}]},{"given":"Marvin L.","family":"Cohen","sequence":"additional","affiliation":[{"name":"UNIVERSITY OF CALIFORNIA AND LAWRENCE BERKELEY LABORATORY\rBERKELEY, CALIFORNIA 94720"}]}],"member":"179","published-online":{"date-parts":[[1991,3,1]]},"reference":[{"key":"atypb1","doi-asserted-by":"publisher","DOI":"10.1038\/340369a0"},{"key":"atypb2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.62.1150"},{"key":"atypb3","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.60.116"},{"key":"atypb4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.55.533"},{"key":"atypb5","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.36.2092"},{"key":"atypb6","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.54.2375"},{"key":"atypb7","doi-asserted-by":"publisher","DOI":"10.1088\/0031-8949\/1982\/T1\/001"},{"key":"atypb8","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.32.7988"},{"key":"atypb9","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-642-97080-1"},{"volume-title":"Proceedings of the 19th internal. conf. on the physics of semiconductors","author":"Drube, W.","key":"atypb10"},{"key":"atypb11","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.61.1631"},{"key":"atypb12","doi-asserted-by":"publisher","DOI":"10.1007\/BF02959829"},{"key":"atypb13","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.62.815"},{"key":"atypb14","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.43.1494"},{"key":"atypb15","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.57.1169"},{"key":"atypb16","doi-asserted-by":"publisher","DOI":"10.1016\/0375-9601(78)90722-3"},{"key":"atypb17","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.55.1418"},{"key":"atypb18","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.34.5390"},{"key":"atypb19","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.58.1551"},{"key":"atypb20","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.38.4033"},{"key":"atypb21","first-page":"4409","volume":"12","author":"Ihm, J.","year":"1979","journal-title":"J. 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