David Furman
David Furman
Herchel Smith Research Fellow and Darwin Research Fellow, University of Cambridge
Zweryfikowany adres z cam.ac.uk
Tytuł
Cytowane przez
Cytowane przez
Rok
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
1202014
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
632013
Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
D Furman, B Carmeli, Y Zeiri, R Kosloff
Journal of Chemical Theory and Computation 14 (6), 3100-3112, 2018
272018
Reactive force field for liquid hydrazoic acid with applications to detonation chemistry
D Furman, F Dubnikova, ACT Van Duin, Y Zeiri, R Kosloff
The Journal of Physical Chemistry C 120 (9), 4744-4752, 2016
232016
Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate
D Furman, R Kosloff, Y Zeiri
The Journal of Physical Chemistry C 120 (50), 28886-28893, 2016
222016
Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study
JC Oxley, D Furman, AC Brown, F Dubnikova, JL Smith, R Kosloff, Y Zeiri
The Journal of Physical Chemistry C 121 (30), 16145–16157, 2017
212017
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields
D Furman, DJ Wales
The Journal of Physical Chemistry Letters 10 (22), 7215-7223, 2019
142019
Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth
NH Kalson, D Furman, Y Zeiri
ACS Central Science 3 (9), 1041-1049, 2017
142017
Mechanism of intact adsorbed molecules ejection using high intensity laser pulses
D Furman, R Kosloff, Y Zeiri
The Journal of Physical Chemistry C 120 (20), 11306-11312, 2016
142016
Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence
Y Elbaz, D Furman, M Caspary Toroker
Advanced Functional Materials 1900778, 2019
112019
A Well-behaved Theoretical Framework for ReaxFF Reactive Force Fields
D Furman, DJ Wales
The Journal of Chemical Physics 153 (2), 2020
52020
Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide
Y Elbaz, D Furman, M ,Caspary-Toroker
Physical Chemistry Chemical Physics, 25169-25178, 2018
42018
Electronic structure of β-NiOOH with hydrogen vacancies and implications for energy conversion applications
V Fidelsky, D Furman, Y Khodokovsky, Y Elbaz, Y Zeiri, ...
MRS Communications, 1-8, 2017
32017
Development of ReaxFF Reactive Force Field for Aqueous Iron–Sulfur Clusters with Applications to Stability and Reactivity in Water
E Moerman, D Furman, DJ Wales
Journal of Chemical Information and Modeling 61 (3), 2021
12021
Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications
E Moerman, D Furman, DJ Wales
Journal of Chemical Theory and Computation 17 (1), 2020
2020
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