Barak Hirshberg
Barak Hirshberg
School of Chemistry, Tel Aviv University
Verified email at tauex.tau.ac.il - Homepage
Title
Cited by
Cited by
Year
Decomposition of Condensed Phase Energetic Materials: Interplay between Uni-and Bimolecular Mechanisms
D Furman, R Kosloff, F Dubnikova, SV Zybin, WA Goddard III, N Rom, ...
Journal of the American Chemical Society 136 (11), 4192-4200, 2014
1222014
Calculations predict a stable molecular crystal of N8
B Hirshberg, RB Gerber, AI Krylov
Nature Chemistry 6 (1), 52-56, 2014
1222014
First Principles Based Reaction Kinetics for Decomposition of Hot Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations
N Rom, B Hirshberg, Y Zeiri, D Furman, SV Zybin, WA Goddard, R Kosloff
The Journal of Physical Chemistry C 117 (41), 21043–21054, 2013
642013
Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters
RB Gerber, D Shemesh, ME Varner, J Kalinowski, B Hirshberg
Physical Chemistry Chemical Physics 16 (21), 9760-9775, 2014
332014
Decomposition mechanisms and dynamics of N 6: bond orders and partial charges along classical trajectories
B Hirshberg, RB Gerber
Chemical Physics Letters 531, 46-51, 2012
222012
First Principles Prediction of an Insensitive High Energy Density Material
B Hirshberg, C Denekamp
Physical Chemistry Chemical Physics 15 (40), 17681-17688, 2013
182013
Path Integral Molecular Dynamics for Bosons
B Hirshberg, V Rizzi, M Parrinello
Proceedings of the National Academy of Sciences 116 (43), 21445-21449, 2019
142019
Formation of Carbonic Acid in Impact of CO2 on Ice and Water
B Hirshberg, RB Gerber
The Journal of Physical Chemistry Letters 7 (15), 2905-2909, 2016
142016
N 2 O 5 at water surfaces: binding forces, charge separation, energy accommodation and atmospheric implications
B Hirshberg, ER Molina, AW Götz, AD Hammerich, GM Nathanson, ...
Physical Chemistry Chemical Physics 20 (26), 17961-17976, 2018
122018
Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality
B Hirshberg, M Invernizzi, M Parrinello
The Journal of Chemical Physics 152 (17), 171102, 2020
112020
Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications
B Hirshberg, L Sagiv, RB Gerber
Journal of Chemical Theory and Computation 13 (3), 982-991, 2017
92017
Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration
T Dornheim, M Invernizzi, J Vorberger, B Hirshberg
The Journal of Chemical Physics 153 (23), 234104, 2020
72020
Trapping and Structural Characterization of the XNO2·NO3 (X = Cl, Br, I) Exit Channel Complexes in the Water-Mediated X + N2O5 Reactions with …
PJ Kelleher, FS Menges, JW DePalma, JK Denton, MA Johnson, ...
The Journal of Physical Chemistry Letters 8 (19), 4710-4715, 2017
62017
Metadynamics of paths
D Mandelli, B Hirshberg, M Parrinello
Physical Review Letters 125, 026001, 2020
52020
Anharmonic vibrational spectroscopy calculations using the ab initio CSP method: Applications to H2CO3,(H2CO3) 2, H2CO3-H2O and isotopologues
L Sagiv, B Hirshberg, RB Gerber
Chemical Physics 514, 44-54, 2018
22018
Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics
B Hirshberg, RB Gerber, AI Krylov
Molecular Physics 116 (19-20), 2512-2523, 2018
22018
Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom Systems
B Hirshberg, RB Gerber
Advances in Quantum Chemistry 75, 1-26, 2017
12017
Prediction of a supersolid phase in high-pressure deuterium
CW Myung, B Hirshberg, M Parrinello
arXiv preprint arXiv:2103.13974, 2021
2021
Hydrogenic Stretch Spectroscopy of Glycine–Water Complexes: Anharmonic Ab Initio Classical Separable Potential Calculations
L Sagiv, B Hirshberg, RB Gerber
The Journal of Physical Chemistry A 123 (39), 8377-8384, 2019
2019
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Articles 1–19