The AFLOW standard for high-throughput materials science calculations

Camilo E. Calderón, José J. Plata, Cormac Toher, +8

Computational Materials Science

Materials ScienceMaterials EngineeringEngineeringMaterial SimulationNumerical Simulation +5

Electrostatic Properties of Ideal and Non‐ideal Polar Organic Monolayers: Implications for Electronic Devices

Amir Natan, Leeor Kronik, Hossam Haick, +1

Advanced Materials

Materials ScienceElectronic DevicesNet DipoleElectronic MaterialsEngineering +12

Cooperative effects and dipole formation at semiconductor and self-assembled-monolayer interfaces

Amir Natan, Yigal Zidon, Yoram Shapira, +1

Physical Review B

EngineeringMolecular Self-assemblyChemistrySemiconductorsSurface Dipole +16

Electronic structure of Si(111)-bound alkyl monolayers: Theory and experiment

Lior Segev, Adi Salomon, Amir Natan, +5

Physical Review B

EngineeringTunneling MicroscopyPhysicsLayered MaterialNatural Sciences +10

Reconstructive Phase Transition in Ultrashort Peptide Nanostructures and Induced Visible Photoluminescence

Amir Handelman, Natalia Kuritz, Amir Natan, +1

Langmuir

Local Atomic Order and Infrared Spectra of Biogenic Calcite

Rachel Gueta, Amir Natan, Lia Addadi, +3

Angewandte Chemie International Edition

Infrared SpectraEngineeringNatural SciencesSpectroscopyBiomineralization +10

Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems

Amir Natan, Ayelet Benjamini, Doron Naveh, +4

Physical Review B

EngineeringComputational ChemistryFirst Principles CalculationsElectronic StructureFirst Principles Pseudopotentials +15

Polarizability, Susceptibility, and Dielectric Constant of Nanometer‐Scale Molecular Films: A Microscopic View

Amir Natan, Natalia Kuritz, Leeor Kronik

Advanced Functional Materials

EngineeringNanometer‐scale Molecular FilmsChemistryOligophenyl ChainsNanoscale Modeling +15

Electrostatic Properties of Adsorbed Polar Molecules:  Opposite Behavior of a Single Molecule and a Molecular Monolayer

Amir Natan, Yoram Shapira, Leeor Kronik

Journal of the American Chemical Society

Computing surface dipoles and potentials of self-assembled monolayers from first principles

Amir Natan, Leeor Kronik, Yoram Shapira

Applied Surface Science

Materials ScienceEngineeringSelf-assembled MonolayersPhysicsFunctional Surface +9