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Barak Hirshberg
Barak Hirshberg
Assistant Professor of Chemistry, Tel Aviv University
Verified email at tauex.tau.ac.il - Homepage
Title
Cited by
Cited by
Year
Calculations predict a stable molecular crystal of N8
B Hirshberg, RB Gerber, AI Krylov
Nature chemistry 6 (1), 52-56, 2014
1712014
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
1562014
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 III, ...
The Journal of Physical Chemistry C 117 (41), 21043-21054, 2013
762013
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
422014
Path integral molecular dynamics for bosons
B Hirshberg, V Rizzi, M Parrinello
Proceedings of the National Academy of Sciences 116 (43), 21445-21449, 2019
372019
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), 2020
312020
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), 2020
302020
Metadynamics of paths
D Mandelli, B Hirshberg, M Parrinello
Physical Review Letters 125 (2), 026001, 2020
292020
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
262018
Decomposition mechanisms and dynamics of N6: Bond orders and partial charges along classical trajectories
B Hirshberg, RB Gerber
Chemical Physics Letters 531, 46-51, 2012
262012
First principles prediction of an insensitive high energy density material
B Hirshberg, C Denekamp
Physical Chemistry Chemical Physics 15 (40), 17681-17688, 2013
212013
Prediction of a supersolid phase in high-pressure deuterium
CW Myung, B Hirshberg, M Parrinello
Physical Review Letters 128 (4), 045301, 2022
192022
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
192016
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
172017
Stochastic Resetting for Enhanced Sampling
O Blumer, S Reuveni, B Hirshberg
The journal of physical chemistry letters 13 (48), 11230-11236, 2022
122022
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
Collective Variables for Conformational Polymorphism in Molecular Crystals
O Elishav, R Podgaetsky, O Meikler, B Hirshberg
The Journal of Physical Chemistry Letters 14 (4), 971-976, 2023
72023
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
T Dornheim, P Tolias, S Groth, ZA Moldabekov, J Vorberger, B Hirshberg
The Journal of Chemical Physics 159 (16), 2023
52023
Combining stochastic resetting with Metadynamics to speed-up molecular dynamics simulations
O Blumer, S Reuveni, B Hirshberg
Nature Communications 15 (1), 240, 2024
42024
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
42018
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