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Transition structure at the Si(100)-SiO2 interface

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Transition structure at the Si(100)-SiO2 interface

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Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression

Average-atom interatomic potential for random alloys

Molecular dynamics simulations of irradiation of alpha-Fe thin films with energetic Fe ions under channeling conditions

Accurate potential energy surfaces with a DFT plus U(R) approach

Optimization of Embedded Atom Method Interatomic Potentials to Simulate Defect Structures and Magnetism in [alpha]-Fe

Molecular dynamics simulation of radiation damage in bcc tungsten

Molecular dynamics simulation of radiation damage in bcc tungsten

Analysis of nano-sized irradiation-induced defects in Fe-base materials by means of small angle neutron scattering and molecular dynamics simulations

Study of cascades damage in Ni by MD with different interatomic potentials

Molecular dynamics modelling of radiation defects in ferromagnetic alpha-iron

Optimization of Embedded Atom Method Interatomic Potentials to Simulate Defect Structures and Magnetism in [alpha]-Fe

Study of cascades damage in Ni by MD with different interatomic potentials

Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression

Molecular dynamics modelling of radiation defects in ferromagnetic alpha-iron

Average-atom interatomic potential for random alloys

Molecular dynamics simulations of irradiation of alpha-Fe thin films with energetic Fe ions under channeling conditions

Accurate potential energy surfaces with a DFT plus U(R) approach

Analysis of nano-sized irradiation-induced defects in Fe-base materials by means of small angle neutron scattering and molecular dynamics simulations

Molecular dynamics simulation of radiation damage in bcc tungsten

Molecular dynamics simulation of radiation damage in bcc tungsten