358 citations · 1.2k across the 17 of their papers we have counts for
17 papers
Large Scale Structure Prediction of Near-Stoichiometric Magnesium Oxide Based on a Machine-Learned Interatomic Potential: Novel Crystalline Phases and Oxygen-Vacancy Ordering
Hossein Tahmasbi, Stefan Goedecker, S. Alireza Ghasemi
Using a fast and accurate neural network potential we are able to systematically explore the energy landscape of large unit cells of bulk magnesium oxide with the minima hopping me…
An automated approach for developing neural network interatomic potentials with FLAME
Hossein Mirhosseini, Hossein Tahmasbi, Sai Ram Kuchana +2
The performance of machine learning interatomic potentials relies on the quality of the training dataset. In this work, we present an approach for generating diverse and representa…
Electronic, dielectric and optical properties of two dimensional and bulk ice: a multi-scale simulation study
S. Ghasemi, M. Alihosseini, F. Peymanirad +4
The intercalated water into nanopores exhibits anomalous properties such as ultralow dielectric constant.~Multi-scale modeling and simulations are used to investigate the dielectri…
FLAME: a library of atomistic modeling environments
Maximilian Amsler, Samare Rostami, Hossein Tahmasbi +4
FLAME is a software package to perform a wide range of atomistic simulations for exploring the potential energy surfaces (PES) of complex condensed matter systems. The range of met…
A two-dimensional hexagonal sheet of TiO
Hossein Asnaashari Eivari, S. Alireza Ghasemi, Hossein Tahmasbi +5
We report on the ab initio discovery of a novel putative ground state for quasi two-dimensional TiO through a structural search using the minima hopping method with an artifici…
Highly accurate and efficient algorithm for electrostatic interaction of charged particles confined by metallic parallel plates
Samare Rostami, S. Alireza Ghasemi, Ehsan Nedaaee Oskoee
We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined a…