Goedecker S - Search Results

1

Response to "Comment on 'Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions'" [J. Chem. Phys. 156, 034302 (2022)].

Parsaeifard B, Krummenacher M, Goedecker S. Parsaeifard B, et al. Among authors: goedecker s. J Chem Phys. 2022 Nov 7;157(17):177102. doi: 10.1063/5.0099525. J Chem Phys. 2022. PMID: 36347681 No abstract available.

2

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers.

Ratcliff LE, Degomme A, Flores-Livas JA, Goedecker S, Genovese L. Ratcliff LE, et al. Among authors: goedecker s. J Phys Condens Matter. 2018 Mar 7;30(9):095901. doi: 10.1088/1361-648X/aaa8c9. J Phys Condens Matter. 2018. PMID: 29345623 Free article.

3

High-pressure structures of disilane and their superconducting properties.

Flores-Livas JA, Amsler M, Lenosky TJ, Lehtovaara L, Botti S, Marques MA, Goedecker S. Flores-Livas JA, et al. Among authors: goedecker s. Phys Rev Lett. 2012 Mar 16;108(11):117004. doi: 10.1103/PhysRevLett.108.117004. Epub 2012 Mar 14. Phys Rev Lett. 2012. PMID: 22540502

4

Chemical wiring and soldering toward all-molecule electronic circuitry.

Okawa Y, Mandal SK, Hu C, Tateyama Y, Goedecker S, Tsukamoto S, Hasegawa T, Gimzewski JK, Aono M. Okawa Y, et al. Among authors: goedecker s. J Am Chem Soc. 2011 Jun 1;133(21):8227-33. doi: 10.1021/ja111673x. Epub 2011 May 6. J Am Chem Soc. 2011. PMID: 21548552

5

Operator approach in the linearized augmented-plane-wave method: Efficient electronic-structure calculations including forces.

Goedecker S, Maschke K. Goedecker S, et al. Phys Rev B Condens Matter. 1992 Jan 15;45(4):1597-1604. doi: 10.1103/physrevb.45.1597. Phys Rev B Condens Matter. 1992. PMID: 10001657 No abstract available.

6

Transferability of pseudopotentials.

Goedecker S, Maschke K. Goedecker S, et al. Phys Rev A. 1992 Jan 1;45(1):88-93. doi: 10.1103/physreva.45.88. Phys Rev A. 1992. PMID: 9906702 No abstract available.

7

Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions.

Neelov A, Ghasemi SA, Goedecker S. Neelov A, et al. Among authors: goedecker s. J Chem Phys. 2007 Jul 14;127(2):024109. doi: 10.1063/1.2746328. J Chem Phys. 2007. PMID: 17640121

8

A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry.

Alireza Ghasemi S, Neelov A, Goedecker S. Alireza Ghasemi S, et al. Among authors: goedecker s. J Chem Phys. 2007 Dec 14;127(22):224102. doi: 10.1063/1.2804382. J Chem Phys. 2007. PMID: 18081385

9

Crystal structure prediction using the minima hopping method.

Amsler M, Goedecker S. Amsler M, et al. Among authors: goedecker s. J Chem Phys. 2010 Dec 14;133(22):224104. doi: 10.1063/1.3512900. J Chem Phys. 2010. PMID: 21171680

10

Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations.

Willand A, Kvashnin YO, Genovese L, Vázquez-Mayagoitia Á, Deb AK, Sadeghi A, Deutsch T, Goedecker S. Willand A, et al. Among authors: goedecker s. J Chem Phys. 2013 Mar 14;138(10):104109. doi: 10.1063/1.4793260. J Chem Phys. 2013. PMID: 23514467

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