217 citations · 763 across the 10 of their papers we have counts for
10 papers
Low-density silicon allotropes for photovoltaic applications
Maximilian Amsler, Silvana Botti, Miguel A. L. Marques +2
Silicon materials play a key role in many technologically relevant fields, ranging from the electronic to the photovoltaic industry. A systematic search for silicon allotropes was…
High pressure structures of disilane and their superconducting properties
Maximilian Amsler, José A. Flores-Livas, Thomas J. Lenosky +4
A systematic ab initio search for low enthalpy phases of disilane (Si_2H_6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of d…
The crystal structure of cold compressed graphite
Maximilian Amsler, José A. Flores-Livas, Lauri Lehtovaara +10
Through a systematic structural search we found an allotrope of carbon with Cmmm symmetry which we predict to be more stable than graphite for pressures above 10 GPa. This material…
Thermodynamic stability of oxygen point defects in cubic Zirconia
Amit Samanta, Thomas Lenosky, Ju Li
Zirconia (ZrO2) is an important material with technological applications which are affected by point defect physics. Ab-initio calculations are performed to understand the structur…
The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods
S. Alireza Ghasemi, Maximilian Amsler, Richard G. Hennig +7
The accuracy of the energy landscape of silicon systems obtained from various density functional methods, a tight binding scheme and force fields is studied. Quantum Monte Carlo re…
Classical potential describes martensitic phase transformations between the , and titanium phases
R. G. Hennig, T. J. Lenosky, D. R. Trinkle +2
A description of the martensitic transformations between the , and phases of titanium that includes nucleation and growth requires an accurate classical potential. Optim…