List of works - Amir Natan

Adsorption of Li2O2, Na2O2, and NaO2 on TiC(111) Surface for Metal–Air Rechargeable Batteries: A Theoretical Study

An auxilliary grid method for the calculation of electrostatic terms in density functional theory on a real-space grid

scientific article published on 30 June 2015

Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

scientific article published in February 2016

Bioorganic nanodots for non-volatile memory devices

Collectively induced quantum-confined Stark effect in monolayers of molecules consisting of polar repeating units

scientific article published on 27 October 2011

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

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

scholarly article in Physical Review B, vol. 73 no. 19, May 2006

Diffusivity and Solubility of Oxygen in Solvents for Metal/Oxygen Batteries: A Combined Theoretical and Experimental Study

Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units

scientific article published on December 2012

Efficient Computation of the Hartree-Fock Exchange in Real-Space with Projection Operators

scientific article published on 7 July 2016

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

scholarly article in Physical Review B, vol. 74 no. 16, October 2006

Electrostatic Potential of Polyelectrolyte Molecules Grafted on Charged Surfaces: A Poisson-Boltzmann Model

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

scientific article published on 17 February 2007

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

Fock-exchange for periodic structures in the real-space formalism and the KLI approximation

scientific article published in June 2015

Insights into graphene functionalization by single atom doping

scientific article published on 27 November 2013

Local Atomic Order and Infrared Spectra of Biogenic Calcite

Local atomic order and infrared spectra of biogenic calcite

scientific article published in January 2007

Mathematical model of whole cell based bio-chip: An electrochemical biosensor for water toxicity detection

Optimizing kernel methods for Poisson integrals on a uniform grid

PFC and Triglyme for Li–Air Batteries: A Molecular Dynamics Study

article

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

Proton-Transfer-Induced Fluorescence in Self-Assembled Short Peptides

scientific article published on 21 February 2019

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

scholarly article in Physical Review B, vol. 78 no. 7, August 2008

Reconstructive Phase Transition in Ultrashort Peptide Nanostructures and Induced Visible Photoluminescence

scientific article published on 23 October 2015

Size and temperature transferability of direct and local deep neural networks for atomic forces

scholarly article in Physical Review B, vol. 98 no. 9, September 2018

Size dependent electronic properties of silicon quantum dots—An analysis with hybrid, screened hybrid and local density functional theory

Structural and optical properties of short peptides: nanotubes-to-nanofibers phase transformation

scientific article

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

scientific article published in April 2016

The AFLOW standard for high-throughput materials science calculations

scholarly article by Camilo E. Calderon et al published October 2015 in Computational Materials Science

The Molecularly Controlled Semiconductor Resistor: How does it work?

scientific article published on 01 November 2009

The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials

scientific article published on 22 December 2017

List of works by Amir Natan