List of works - Barak Hirshberg - Paulina

List of works by Barak Hirshberg

Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

scientific article

Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications

scientific article published on 8 February 2017

Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration

scientific article published on 01 December 2020

Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics

article

Calculations predict a stable molecular crystal of N8.

scientific article published on 15 December 2013

Decomposition of condensed phase energetic materials: interplay between uni- and bimolecular mechanisms

scientific article published on 06 March 2014

First principles prediction of an insensitive high energy density material

scientific article published in October 2013

Formation of Carbonic Acid in Impact of CO2 on Ice and Water.

scientific article published on 15 July 2016

Hydrogenic Stretch Spectroscopy of Glycine-Water Complexes: Anharmonic Ab Initio Classical Separable Potential Calculations

scientific article published on 20 September 2019

N2O5 at water surfaces: binding forces, charge separation, energy accommodation and atmospheric implications

scientific article published on 01 July 2018

Path integral molecular dynamics for bosons

scientific article published on 07 October 2019

Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality

scientific article published on 01 May 2020

Trapping and Structural Characterization of the XNO2·NO3- (X = Cl, Br, I) Exit Channel Complexes in the Water-Mediated X- + N2O5 Reactions with Cryogenic Vibrational Spectroscopy.

scientific article

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