Publications

Showing records 1 - 20 (of 129)

Publication: Book Item (Buchkap., Lexikonartikel, jur. Kommentierung, Beiträge in Sammelbänden etc.)

ID	Author	Year	Title	Publisher
2832519	Goedecker, S.; Umrigar, C. J.	2000	Natural Orbit Functional Theory	Springer
2310791	Alam, Sadaf R.; Fourestey, Gilles; Videau, Brice; Genovese, Luigi; Goedecker, Stefan; Dugan, Nazim	2012	Overlapping Computations with Communications and I/O Explicitly Using OpenMP Based Heterogeneous Threading Models	Springer

Publication: JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)

ID	Author	Year	Title	Publisher
3728502	Zhu, Li; Amsler, Maximilian; Fuhrer, Tobias; Schaefer, Bastian; Faraji, Somayeh; Rostami, Samare; Ghasemi, S. Alireza; Sadeghi, Ali; Grauzinyte, Migle; Wolverton, Chris; Goedecker, Stefan	2016	A fingerprint based metric for measuring similarities of crystalline structures	Journal of Chemical Physics
4657669	Zhang, Shuai; Karasiev, Valentin V.; Shaffer, Nathaniel; Mihaylov, Deyan I.; Nichols, Katarina; Paul, Reetam; Goshadze, R. M. N.; Ghosh, Maitrayee; Hinz, Joshua; Epstein, Reuben; Goedecker, Stefan; Hu, S. X.	2022	First-principles equation of state of CHON resin for inertial confinement fusion applications	Physical review E
2310835	Willand, Alex; Kvashnin, Yaroslav O.; Genovese, Luigi; Vázquez-Mayagoitia, Álvaro; Deb, Arpan Krishna; Sadeghi, Ali; Deutsch, Thierry; Goedecker, Stefan	2013	Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations	Journal of Chemical Physics
453372	Willand, Alex; Gramzow, Matthias; Ghasemi, S. Alireza; Genovese, Luigi; Deutsch, Thierry; Reuter, Karsten; Goedecker, Stefan	2010	Structural metastability of endohedral silicon fullerenes	Physical Review B
2310839	Vergniory, M. G.; Marques, M. A. L.; Botti, S.; Amsler, M.; Goedecker, S.; Chulkov, E. V.; Ernst, A.; Romero, A. H.	2013	Comment on "Topological Insulators in Ternary Compounds with a Honeycomb Lattice"	Physical Review Letters
3389277	Valencia-Jaime, Irais; Sarmiento-Perez, Rafael; Botti, Silvana; Marques, Miguel A. L.; Amsler, M.; Goedecker, S.; Romero, Aldo H.	2016	Novel crystal structures for lithium-silicon alloy predicted by minima hopping method	Journal of Alloys and Compounds
2832456	Tran, Huan Doan; Amsler, Maximilian; Botti, Silvana; Marques, Miguel A. L.; Goedecker, Stefan	2014	First-principles predicted low-energy structures of NaSc(BH4)(4)	Journal of Chemical Physics
4519538	Sun, Yu; Amsler, Maximilian; Goedecker, Stefan; Caravella, Alessio; Yoshida, Masaki; Kato, Masako	2019	Surfactant-assisted synthesis of large Cu-BTC MOF single crystals and their potential utilization as photodetectors	CrystEngComm
1012446	Sicher, Michael; Mohr, Stephan; Goedecker, Stefan	2011	Efficient moves for global geometry optimization methods and their application to binary systems	Journal of Chemical Physics
2310745	Schönborn, Sandro E.; Goedecker, Stefan; Roy, Shantanu; Oganov, Artem R.	2009	The performance of minima hopping and evolutionary algorithms for cluster structure prediction	Journal of Chemical Physics
2832449	Schaefer, Bastian; Pal, Rhitankar; Khetrapal, Navneet S.; Amsler, Maximilian; Sadeghi, Ali; Blum, Volker; Zeng, Xiao Cheng; Goedecker, Stefan; Wang, Lai-Sheng	2014	Isomerism and Structural Fluxionality in the Au-26 and Au-26(-) Nanoclusters	ACS Nano
2832452	Schaefer, Bastian; Mohr, Stephan; Amsler, Maximilian; Goedecker, Stefan	2014	Minima hopping guided path search: An efficient method for finding complex chemical reaction pathways	Journal of Chemical Physics
3728496	Schaefer, Bastian; Goedecker, Stefan	2016	Computationally efficient characterization of potential energy surfaces based on fingerprint distances	Journal of Chemical Physics
3389282	Schaefer, Bastian; Ghasemi, S. Alireza; Roy, Shantanu; Goedecker, Stefan	2015	Stabilized quasi-Newton optimization of noisy potential energy surfaces	Journal of Chemical Physics
2832467	Sarmiento-Perez, Rafael; Cerqueira, Tiago F. T.; Valencia-Jaime, Irais; Amsler, Maximilian; Goedecker, Stefan; Botti, Silvana; Marques, Miguel A. L.; Romero, Aldo H.	2013	Sodium-gold binaries: novel structures for ionic compounds from an ab initio structural search	New journal of physics
4175809	Saha, Santanu; Genovese, Luigi; Goedecker, Stefan	2017	Metastable exohedrally decorated Borospherene B-40	Scientific Reports
2832466	Sadeghi, Ali; Ghasemi, S. Alireza; Schaefer, Bastian; Mohr, Stephan; Lill, Markus A.; Goedecker, Stefan	2013	Metrics for measuring distances in configuration spaces	Journal of Chemical Physics
2832465	Sadeghi, Ali; Baratoff, Alexis; Goedecker, Stefan	2013	Electrostatic interactions with dielectric samples in scanning probe microscopies	Physical review B: Condensed matter and materials physics

Showing records 1 - 20 (of 129)