Recent Publications

In science one tries to tell people, in such a way as to be understood by everyone, something that no one ever knew before. But in poetry, it’s the exact opposite.

- Paul Dirac -

For a full list of publications: Google Scholar

Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields

10

Authors

Journal of Chemical Theory and Computation

2018

14

6

Furman, David; Carmeli, Benny; Zeiri, Yehuda; Kosloff, Ronnie;

Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide

9

Authors

Physical Chemistry Chemical Physics

2018

20

39

Elbaz, Yuval; Furman, David; ,Caspary-Toroker, Maytal;

Electronic structure of β-NiOOH with hydrogen vacancies and implications for energy conversion applications

8

Authors

MRS Communications

2017

7

2

Fidelsky, Vicky; Furman, David; Khodokovsky, Yuri; Elbaz, Yuval; Zeiri, Yehuda; Caspary-Toroker, Maytal;

Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth

7

Authors

ACS Central Science

2017

3

9

Kalson, Natan-Haim; Furman, David; Zeiri, Yehuda;

Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study

6

Authors

The Journal of Physical Chemistry C

2017

121

30

Oxley, Jimmie Carol; Furman, David; Brown, Austin C.; Dubnikova, Faina; Smith, James L.; Kosloff, Ronnie; Zeiri, Yehuda;

Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry

5

Authors

The Journal of Physical Chemistry C

2016

120

9

Furman, David; Dubnikova, Faina; Van Duin, Adri CT; Zeiri, Yehuda; Kosloff, Ronnie;

Mechanism of Intact Adsorbed Molecules Ejection Using High Intensity Laser Pulses

4

Authors

The Journal of Physical Chemistry C

2016

120

20

Furman, David; Kosloff, Ronnie; Zeiri, Yehuda;

Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate

3

Authors

The Journal of Physical Chemistry C

2016

120

50

Furman, David; Kosloff, Ronnie; Zeiri, Yehuda;

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

2

Authors

Journal of the American Chemical Society

2014

136

11

Furman, David; Kosloff, Ronnie; Dubnikova, Faina; Zybin, Sergey V; Goddard III, William A; Rom, Naomi; Hirshberg, Barak; Zeiri, Yehuda;

First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations

1

Authors

The Journal of Physical Chemistry C

2013

117

41

Rom, Naomi; Hirshberg, Barak; Zeiri, Yehuda; Furman, David; Zybin, Sergey V; Goddard III, William A; Kosloff, Ronnie;

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