|Metrics for measuring distances in configuration spaces|
A Sadeghi, SA Ghasemi, B Schaefer, S Mohr, MA Lill, S Goedecker
The Journal of Chemical Physics 139 (18), 184118, 2013
|A fingerprint based metric for measuring similarities of crystalline structures|
L Zhu, M Amsler, T Fuhrer, B Schaefer, S Faraji, S Rostami, SA Ghasemi, ...
The Journal of Chemical Physics 144 (3), 034203, 2016
|High accuracy and transferability of a neural network potential through charge equilibration for calcium fluoride|
S Faraji, SA Ghasemi, S Rostami, R Rasoulkhani, B Schaefer, ...
Physical Review B 95 (10), 104105, 2017
|Minima hopping guided path search: An efficient method for finding complex chemical reaction pathways|
B Schaefer, S Mohr, M Amsler, S Goedecker
The Journal of Chemical Physics 140 (21), 214102, 2014
|Isomerism and Structural Fluxionality in the Au26 and Au26–Nanoclusters|
B Schaefer, R Pal, NS Khetrapal, M Amsler, A Sadeghi, V Blum, XC Zeng, ...
ACS Nano 8 (7), 7413-7422, 2014
|Relation between the Dynamics of Glassy Clusters and Characteristic Features of their Energy Landscape|
S De, B Schaefer, A Sadeghi, M Sicher, DG Kanhere, S Goedecker
Physical Review Letters 112 (8), 083401, 2014
|Stabilized quasi-Newton optimization of noisy potential energy surfaces|
B Schaefer, SA Ghasemi, S Roy, S Goedecker
The Journal of Chemical Physics 142 (3), 034112, 2015
|Boron aggregation in the ground states of boron-carbon fullerenes|
S Mohr, P Pochet, M Amsler, B Schaefer, A Sadeghi, L Genovese, ...
Physical Review B 89 (4), 041404, 2014
|Computationally efficient characterization of potential energy surfaces based on fingerprint distances|
B Schaefer, S Goedecker
The Journal of Chemical Physics 145, 034101, 2016
|Finding reaction pathways with optimal atomic index mappings|
DS De, M Krummenacher, B Schaefer, S Goedecker
Physical Review Letters 123 (20), 206102, 2019
|Probing the characteristics of potential energy surfaces|