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Items where Author is "De , Deb Sankar"

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Number of items: 8.

2021

Parsaeifard, Behnam and De, Deb Sankar and Finkler, Jonas A. and Goedecker, Stefan. (2021) Fingerprint-Based Detection of Non-Local Effects in the Electronic Structure of a Simple Single Component Covalent System. Condensed Matter, 6 (1). p. 9.

2020

Parsaeifard, Behnam and De, Deb Sankar and Christensen, Anders Steen and Faber, Felix Andreas and Kocer, Emir and De, Sandip and Behler, Jörg and Lilienfeld, Anatole von and Goedecker, Stefan. (2020) An assessment of the structural resolution of various fingerprints commonly used in machine learning. Machine Learning: Science and Technology, 2 (1). 015018.

Parsaeifard, Behnam and Tomerini, Daniele and De, Deb Sankar and Goedecker, Stefan. (2020) Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression. Journal of Chemical Physics, 153 (21). p. 214104.

De, Deb Sankar and Schaefer, Bastian and von Issendorff, Bernd and Goedecker, Stefan. (2020) Nonexistence of the decahedral Si20H20 cage: Levinthal`s paradox revisited. Physical Review B, 101 (21). p. 214303.

2019

De , Deb Sankar and Krummenacher, Marco and Schaefer, Bastian and Goedecker, Stefan. (2019) Finding Reaction Pathways with Optimal Atomic Index Mappings. Physical Review Letters, 123 (20). p. 206102.

2018

De, Deb Sankar and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2018) Influence of an external electric field on the potential-energy surface of alkali-metal-decorated C-60. Physical Review A, 97 (6). 063401.

De, Deb Sankar and Flores-Livas, Jose A. and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2018) Stable structures of exohedrally decorated C60-fullerenes. Carbon, 129. pp. 847-853.

De, Deb Sankar. Structure prediction of nano materials. 2018, Doctoral Thesis, University of Basel, Faculty of Science.

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