S. Ghasemi

发表

Metrics for measuring distances in configuration spaces.

S. Goedecker, A. Sadeghi, S. Ghasemi, 2013, The Journal of chemical physics.

Optimized symmetry functions for machine-learning interatomic potentials of multicomponent systems.

S. Ghasemi, S. Rostami, M. Amsler, 2018, The Journal of chemical physics.

A neural-network potential through charge equilibration for WS2: From clusters to sheets.

S. J. Hashemifar, S. Ghasemi, R. Hafizi, 2017, The Journal of chemical physics.

CENT2: Improved charge equilibration via neural network technique

Jonas A. Finkler, S. Ghasemi, T. Kühne, 2022, Physical Review B.

Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network

Stefan Goedecker, Santanu Saha, S. Alireza Ghasemi, 2015, 1501.07344.

Multiscale approach for simulations of Kelvin Probe force microscopy with atomic resolution

S. Goedecker, E. Meyer, A. Sadeghi, 2012, 1203.5401.

Structure and stability of semiconductor tip apexes for atomic force microscopy

S. Goedecker, T. Lenosky, P. Jelínek, 2009, Nanotechnology.

Atomistic simulations of atomic force microscopy

S. Ghasemi, 2010 .

Two-Dimensional Hexagonal Sheet of TiO2

S. Goedecker, S. Ghasemi, S. Rostami, 2017 .

Structural metastability of endohedral silicon fullerenes

Stefan Goedecker, Thierry Deutsch, Luigi Genovese, 2010, 1003.5810.

Surface reconstructions and premelting of the (100) CaF2 surface.

S. Goedecker, S. Ghasemi, S. Faraji, 2019, Physical chemistry chemical physics : PCCP.

Energetic and vibrational analysis of hydrogenated silicon m vacancies above saturation

S. Goedecker, T. Lenosky, L. Genovese, 2014 .

Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions.

S. Goedecker, S. Ghasemi, A. Neelov, 2007, The Journal of chemical physics.

Accurate and flexible neural-network interatomic potential for mixed materials: TixZr1−xO2 from bulk to clusters and nanoparticles

R. Gebauer, S. Ghasemi, S. Rostami, 2021, Physical Review Materials.

A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates.

S. Ghasemi, S. Rostami, E. Nedaaee Oskoee, 2015, The Journal of chemical physics.

Daubechies wavelets as a basis set for density functional pseudopotential calculations.

Reinhold Schneider, Stefan Goedecker, Thierry Deutsch, 2008, The Journal of chemical physics.

Ubiquitous mechanisms of energy dissipation in noncontact atomic force microscopy.

S. Goedecker, T. Lenosky, E. Meyer, 2008, Physical review letters.

Thermodynamic properties of ferrimagnetic spin chains in the presence of a magnetic field

S. Ghasemi, J. Abouie, A. Langari, 2006, cond-mat/0601494.

Novel polymorphs and polytypes of lithium chloride from structure predictions based on charge equilibration via neural network technique

S. Goedecker, S. Ghasemi, S. Rostami, 2021, Physical Review Materials.

An automated approach for developing neural network interatomic potentials with FLAME

Thomas D. Kuhne, Hossein Tahmasbi, S. Alireza Ghasemi, 2021, 2102.04085.

Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study.

S. Ghasemi, T. Kühne, H. Mirhosseini, 2021, Physical chemistry chemical physics : PCCP.

A fingerprint based metric for measuring similarities of crystalline structures.

Ali Sadeghi, Stefan Goedecker, Bastian Schaefer, 2015, The Journal of chemical physics.

Surface reconstructions and melting of CaF 2 surfaces

S. Goedecker, S. Ghasemi, S. Faraji, 2019 .

Large-scale structure prediction of near-stoichiometric magnesium oxide based on a machine-learned interatomic potential: Crystalline phases and oxygen-vacancy ordering

S. Goedecker, S. Ghasemi, Hossein Tahmasbi, 2021, Physical Review Materials.

Electronic, dielectric, and optical properties of two-dimensional and bulk ice: A multiscale simulation study

S. A. Ketabi, S. Ghasemi, F. Khoeini, 2020, 2005.14423.

Artificial neural networks for the kinetic energy functional of non-interacting fermions.

S. Ghasemi, T. Kühne, 2021, Journal of Chemical Physics.

Low-energy boron fullerenes: Role of disorder and potential synthesis pathways

Stefan Goedecker, Thierry Deutsch, Luigi Genovese, 2011 .

The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods

Stefan Goedecker, Luigi Genovese, Shantanu Roy, 2009, 0910.4050.

FLAME: A library of atomistic modeling environments

Maximilian Amsler, Somayeh Faraji, Samare Rostami, 2019, Comput. Phys. Commun..

Crystal Structure of Cold Compressed Graphite

Stefan Goedecker, Miguel A. L. Marques, Damien Caliste, 2012 .

Extending molecular simulation time scales : Parallel in time integrations for high-level quantum chemistry and complex force representations

Stefan Goedecker, S. Alireza Ghasemi, S. Goedecker, 2014 .

An enhanced splined saddle method.

Stefan Goedecker, S Alireza Ghasemi, S. Goedecker, 2011, The Journal of chemical physics.

Energy landscape of ZnO clusters and low-density polymorphs

S. Ghasemi, S. Rostami, M. Amsler, 2017 .

High accuracy and transferability of a neural network potential through charge equilibration for calcium fluoride

S. Goedecker, S. Ghasemi, Bastian Schaefer, 2017 .

Crystal structure of cold compressed graphite.

S. Goedecker, M. Marques, S. Botti, 2011, Physical review letters.

First-Principles Study of 2D Haeckelite C7N as a High-Capacity Anode for Post-Lithium-Ion Batteries

S. Ghasemi, Z. Hajiahmadi, Thomas D. Kühne, 2023, ACS Applied Nano Materials.

The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters.

Stefan Goedecker, Luigi Genovese, S Alireza Ghasemi, 2010, The Journal of chemical physics.