Stefan Goedecker - Publications

Physics Basel University 

34 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 GrauŽinytė M, Botti S, Marques MAL, Goedecker S, Flores-Livas JA. Computational acceleration of prospective dopant discovery in cuprous iodide. Physical Chemistry Chemical Physics : Pccp. PMID 31353386 DOI: 10.1039/c9cp02711d  0.44
2019 Faraji S, Ghasemi SA, Parsaeifard B, Goedecker S. Surface reconstructions and premelting of the (100) CaF surface. Physical Chemistry Chemical Physics : Pccp. PMID 31304491 DOI: 10.1039/c9cp02213a  0.36
2018 Rucavado E, Graužinytė M, Flores-Livas JA, Jeangros Q, Landucci F, Lee Y, Koida T, Goedecker S, Hessler-Wyser A, Ballif C, Morales-Masis M. New Route for "Cold-Passivation" of Defects in Tin-Based Oxides. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 17612-17620. PMID 30258525 DOI: 10.1021/acs.jpcc.8b02302  0.44
2018 Ratcliff LE, Degomme A, Flores-Livas JA, Goedecker S, Genovese L. Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29345623 DOI: 10.1088/1361-648X/aaa8c9  0.44
2017 Flores-Livas JA, Sanna A, Graužinytė M, Davydov A, Goedecker S, Marques MAL. Emergence of superconductivity in doped H2O ice at high pressure. Scientific Reports. 7: 6825. PMID 28754909 DOI: 10.1038/s41598-017-07145-4  0.44
2016 Clarke SM, Walsh JP, Amsler M, Malliakas CD, Yu T, Goedecker S, Wang Y, Wolverton C, Freedman DE. Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis. Angewandte Chemie (International Ed. in English). PMID 27666749 DOI: 10.1002/anie.201605902  0.32
2016 He J, Amsler M, Xia Y, Naghavi SS, Hegde VI, Hao S, Goedecker S, Ozoliņš V, Wolverton C. Ultralow Thermal Conductivity in Full Heusler Semiconductors. Physical Review Letters. 117: 046602. PMID 27494488 DOI: 10.1103/PhysRevLett.117.046602  0.4
2016 Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, ... ... Goedecker S, et al. Reproducibility in density functional theory calculations of solids. Science (New York, N.Y.). 351: aad3000. PMID 27013736 DOI: 10.1126/science.aad3000  0.32
2016 Zhu L, Amsler M, Fuhrer T, Schaefer B, Faraji S, Rostami S, Ghasemi SA, Sadeghi A, Grauzinyte M, Wolverton C, Goedecker S. A fingerprint based metric for measuring similarities of crystalline structures. The Journal of Chemical Physics. 144: 034203. PMID 26801027 DOI: 10.1063/1.4940026  0.32
2015 Kawai S, Sadeghi A, Xu F, Peng L, Orita A, Otera J, Goedecker S, Meyer E. Extended halogen bonding between fully fluorinated aromatic molecules. Acs Nano. 9: 2574-83. PMID 25716456 DOI: 10.1021/nn505876n  0.32
2015 Sarmiento-Pérez R, Cerqueira TF, Valencia-Jaime I, Amsler M, Goedecker S, Romero AH, Botti S, Marques MA. Novel phases of lithium-aluminum binaries from first-principles structural search. The Journal of Chemical Physics. 142: 024710. PMID 25591380 DOI: 10.1063/1.4905141  0.44
2014 Schaefer B, Pal R, Khetrapal NS, Amsler M, Sadeghi A, Blum V, Zeng XC, Goedecker S, Wang LS. Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters. Acs Nano. 8: 7413-22. PMID 24960331 DOI: 10.1021/nn502641q  0.32
2014 Schaefer B, Mohr S, Amsler M, Goedecker S. Minima hopping guided path search: an efficient method for finding complex chemical reaction pathways. The Journal of Chemical Physics. 140: 214102. PMID 24907985 DOI: 10.1063/1.4878944  0.4
2014 Amsler M, Flores-Livas JA, Botti S, Marques MA, Goedecker S. Comment on "Towards direct-gap silicon phases by the inverse band structure design approach". Physical Review Letters. 112: 199801. PMID 24877972 DOI: 10.1103/PhysRevLett.112.199801  0.44
2014 Tran HD, Amsler M, Botti S, Marques MA, Goedecker S. First-principles predicted low-energy structures of NaSc(BH4)4. The Journal of Chemical Physics. 140: 124708. PMID 24697471 DOI: 10.1063/1.4869194  0.32
2014 Kawai S, Koch M, Gnecco E, Sadeghi A, Pawlak R, Glatzel T, Schwarz J, Goedecker S, Hecht S, Baratoff A, Grill L, Meyer E. Quantifying the atomic-level mechanics of single long physisorbed molecular chains. Proceedings of the National Academy of Sciences of the United States of America. 111: 3968-72. PMID 24591611 DOI: 10.1073/pnas.1319938111  0.32
2013 Sadeghi A, Ghasemi SA, Schaefer B, Mohr S, Lill MA, Goedecker S. Metrics for measuring distances in configuration spaces. The Journal of Chemical Physics. 139: 184118. PMID 24320265 DOI: 10.1063/1.4828704  0.32
2013 Amsler M, Botti S, Marques MA, Goedecker S. Conducting boron sheets formed by the reconstruction of the α-boron (111) surface. Physical Review Letters. 111: 136101. PMID 24116795 DOI: 10.1103/PhysRevLett.111.136101  0.44
2013 Huan TD, Amsler M, Marques MA, Botti S, Willand A, Goedecker S. Low-energy polymeric phases of alanates. Physical Review Letters. 110: 135502. PMID 23581335 DOI: 10.1103/PhysRevLett.110.135502  0.44
2012 Amsler M, Flores-Livas JA, Huan TD, Botti S, Marques MA, Goedecker S. Novel structural motifs in low energy phases of LiAlH4. Physical Review Letters. 108: 205505. PMID 23003156  0.44
2012 Flores-Livas JA, Amsler M, Lenosky TJ, Lehtovaara L, Botti S, Marques MA, Goedecker S. High-pressure structures of disilane and their superconducting properties. Physical Review Letters. 108: 117004. PMID 22540502 DOI: 10.1103/PhysRevLett.108.117004  0.44
2012 Amsler M, Flores-Livas JA, Lehtovaara L, Balima F, Ghasemi SA, Machon D, Pailhès S, Willand A, Caliste D, Botti S, San Miguel A, Goedecker S, Marques MA. Crystal structure of cold compressed graphite. Physical Review Letters. 108: 065501. PMID 22401083  0.44
2011 Ghasemi SA, Goedecker S. An enhanced splined saddle method. The Journal of Chemical Physics. 135: 014108. PMID 21744889 DOI: 10.1063/1.3605539  0.36
2011 De S, Willand A, Amsler M, Pochet P, Genovese L, Goedecker S. Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon. Physical Review Letters. 106: 225502. PMID 21702613 DOI: 10.1103/PhysRevLett.106.225502  0.4
2011 Okawa Y, Mandal SK, Hu C, Tateyama Y, Goedecker S, Tsukamoto S, Hasegawa T, Gimzewski JK, Aono M. Chemical wiring and soldering toward all-molecule electronic circuitry. Journal of the American Chemical Society. 133: 8227-33. PMID 21548552 DOI: 10.1021/ja111673x  0.32
2011 De S, Ghasemi SA, Willand A, Genovese L, Kanhere D, Goedecker S. The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters. The Journal of Chemical Physics. 134: 124302. PMID 21456657 DOI: 10.1063/1.3569564  0.36
2010 Amsler M, Goedecker S. Crystal structure prediction using the minima hopping method. The Journal of Chemical Physics. 133: 224104. PMID 21171680 DOI: 10.1063/1.3512900  0.4
2009 Amsler M, Alireza Ghasemi S, Goedecker S, Neelov A, Genovese L. Adsorption of small NaCl clusters on surfaces of silicon nanostructures. Nanotechnology. 20: 445301. PMID 19801776 DOI: 10.1088/0957-4484/20/44/445301  0.4
2009 Genovese L, Ospici M, Deutsch T, Méhaut JF, Neelov A, Goedecker S. Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures. The Journal of Chemical Physics. 131: 034103. PMID 19624177 DOI: 10.1063/1.3166140  0.36
2008 Ghasemi SA, Goedecker S, Baratoff A, Lenosky T, Meyer E, Hug HJ. Ubiquitous mechanisms of energy dissipation in noncontact atomic force microscopy. Physical Review Letters. 100: 236106. PMID 18643523 DOI: 10.1103/PhysRevLett.100.236106  0.32
2008 Genovese L, Neelov A, Goedecker S, Deutsch T, Ghasemi SA, Willand A, Caliste D, Zilberberg O, Rayson M, Bergman A, Schneider R. Daubechies wavelets as a basis set for density functional pseudopotential calculations. The Journal of Chemical Physics. 129: 014109. PMID 18624472 DOI: 10.1063/1.2949547  0.36
2007 Alireza Ghasemi S, Neelov A, Goedecker S. A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry. The Journal of Chemical Physics. 127: 224102. PMID 18081385 DOI: 10.1063/1.2804382  0.36
2007 Neelov A, Ghasemi SA, Goedecker S. Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions. The Journal of Chemical Physics. 127: 024109. PMID 17640121 DOI: 10.1063/1.2746328  0.36
2006 Genovese L, Deutsch T, Neelov A, Goedecker S, Beylkin G. Efficient solution of Poisson's equation with free boundary conditions. The Journal of Chemical Physics. 125: 074105. PMID 16942320 DOI: 10.1063/1.2335442  0.32
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