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Ab initio molecular dynamics: basic concepts, current trends and novel applications. JOURNAL OF PHYSICS-CONDENSED MATTER, 14 (50): R1297--R1355 (2002)Report on the sixth blind test of organic crystal structure prediction methods, , , , , , , , , and 83 other author(s). Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 72 (4): 439--459 (Aug 1, 2016)Understanding modern molecular dynamics: Techniques and applications, and . JOURNAL OF PHYSICAL CHEMISTRY B, 104 (2): 159--178 (2000)A simple quantum mechanical/molecular, mechanical (QM/MM) model for methanol, and . CHEMICAL PHYSICS LETTERS, 370 (3-4): 406--411 (2003)A new reciprocal space based treatment of long range interactions on surfaces, , , and . J. Chem. Phys., (2002)