Crystal structure prediction based on density functional theory

Maximilian Kei Amsler
University_of_Basel

6
2014
Oxygen Evolution Reaction Activity of Sr₂Ta₂O₇ and Sr₂Nb₂O₇ Surfaces

Maria Bouri , Nicolas Niederhauser , Benjamin Künzli , Maximilian Kei Amsler
Journal of physical chemistry. C 126 ( 15) 6556 -6563

2022
Crystal structure prediction using the Minima Hopping method

Maximilian Amsler , Stefan Goedecker
arXiv: Materials Science

293
2010
A fingerprint based metric for measuring similarities of crystalline structures

Li Zhu , Maximilian Amsler , Tobias Fuhrer , Bastian Schaefer
Journal of Chemical Physics 144 ( 3) 034203 -034203

67
2016
Cubine, a Two-Dimensional Copper–Bismuth Nanosheet

Maximilian Amsler
Computational Research Day

2018
Prediction of superconducting iron-bismuth intermetallic compounds at high pressure

Chris Wolverton , Maximilian Amsler , S. Shahab Naghavi
arXiv: Materials Science

27
2016
Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction

Tiago F. T. Cerqueira , Maximilian Amsler , Silvana Botti , Stefan Goedecker
arXiv: Materials Science

62
2015
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

Lilia Boeri , Christoph Heil , Maximilian Amsler , Stefan Goedecker
Bulletin of the American Physical Society 2016

133
2016
Prediction of a novel monoclinic carbon allotrope

José A. Flores-Livas , Maximilian Amsler , Silvana Botti , Stefan Goedecker
European Physical Journal B 86 ( 9) 383

11
2013
Ternary mixed-anion semiconductors with tunable band gaps from machine-learning and crystal structure prediction

Chris Wolverton , Maarten G. Goesten , Vinay I. Hegde , Maximilian Amsler
Unknown Journal

15
2018
Thermal conductivity of Ca F 2 at high pressure

S. Mehdi Vaez Allaei , Maximilian Amsler , Maximilian Amsler , Somayeh Faraji
Physical Review B 103 ( 13) 134301

2021
Conducting Boron Sheets Formed by the Reconstruction of theα-Boron (111) Surface

Maximilian Amsler , Silvana Botti , Miguel A. L. Marques , Stefan Goedecker
Physical Review Letters 111 ( 13) 136101

35
2013
Thermodynamics and superconductivity of S x Se 1 − x H 3

Maximilian Amsler
Physical Review B 99 ( 6) 060102

34
2019
First-principles predicted low-energy structures of NaSc(BH4)4

Huan Doan Tran , Maximilian Amsler , Silvana Botti , Miguel A. L. Marques
Journal of Chemical Physics 140 ( 12) 124708 -124708

16
2014
Low-density silicon allotropes for photovoltaic applications

Maximilian Amsler , Silvana Botti , Miguel A. L. Marques , Thomas J. Lenosky
Physical Review B 92 ( 1) 014101

80
2015
Sodium–gold binaries: novel structures for ionic compounds from an ab initio structural search

Rafael Sarmiento-Pérez , Tiago F T Cerqueira , Irais Valencia-Jaime , Maximilian Amsler
New Journal of Physics 15 ( 11) 115007

26
2013
Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet

Maximilian Amsler , Zhenpeng Yao , Chris Wolverton
Chemistry of Materials 29 ( 22) 9819 -9828

15
2017
Designing and discovering a new family of semiconducting quaternary Heusler compounds based on the 18-electron rule

Jiangang He , S. Shahab Naghavi , Vinay I. Hegde , Maximilian Amsler
Chemistry of Materials 30 ( 15) 4978 -4985

25
2018
Creating Binary Cu–Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study

Samantha M. Clarke , Maximilian Amsler , James P. S. Walsh , Tony Yu
Chemistry of Materials 29 ( 12) 5276 -5285

43
2017
Two-Dimensional Hexagonal Sheet of TiO2

Hossein Asnaashari Eivari , S. Alireza Ghasemi , Hossein Tahmasbi , Samare Rostami
Chemistry of Materials 29 ( 20) 8594 -8603

41
2017