Publications

  1. Furman, David, "Hot-Spot Ignition in Porous Energetic Materials Under Arbitrary Dynamic Loading: A Thermo-Mechano-Chemical Model", Combustion and Flame (Under review)
  2. Shafir, Or, Grinberg, Ilya, Ceder, Roy, and Furman, David, "Shear-Driven Amorphization and Anomalous Energy Release in Shocked Ti3SiC2", Applied Physics Reviews (Under review)

Publications (before 2025)

  1. Furman, David, Naumkin, Fedor, and Wales, David John, "Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials", The Journal of Physical Chemistry A, 126(15) (2022).
  2. Moerman, Evgeny, Furman, David, and Wales, David John, "Development of ReaxFF Reactive Force Field for Aqueous Iron--Sulfur Clusters with Applications to Stability and Reactivity in Water", Journal of Chemical Information and Modeling, 61(3) (2021).
  3. Moerman, Evgeny, Furman, David, and Wales, David John, "Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications", Journal of Chemical Theory and Computation, 17(1) (2020).
  4. Furman, David and Wales, David John, "A Well-behaved Theoretical Framework for ReaxFF Reactive Force Fields", The Journal of Chemical Physics, 153(2) (2020).
  5. Furman, David and Wales, David J., "Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields", The Journal of Physical Chemistry Letters, 10(22), 7215--7223 (2019).
  6. Elbaz, Yuval, Furman, David, and Caspary Toroker, Maytal, "Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence", Advanced Functional Materials, 1900778 (2019).
  7. , "Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide", Physical Chemistry Chemical Physics, 25169--25178 (2018).
  8. Furman, David, Carmeli, Benny, Zeiri, Yehuda, and Kosloff, Ronnie, "Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields", Journal of Chemical Theory and Computation, 14(6), 3100--3112 (2018).
  9. Kalson, Natan-Haim, Furman, David, and Zeiri, Yehuda, "Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth", ACS Central Science, 3(9), 1041--1049 (2017).
  10. Oxley, Jimmie Carol, Furman, David, Brown, Austin C., Dubnikova, Faina, Smith, James L., Kosloff, Ronnie, and Zeiri, Yehuda, "Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study", The Journal of Physical Chemistry C, 121(30), 16145--16157 (2017).
  11. Fidelsky, Vicky, Furman, David, Khodokovsky, Yuri, Elbaz, Yuval, Zeiri, Yehuda, and Caspary-Toroker, Maytal, "Electronic structure of $\beta$-NiOOH with hydrogen vacancies and implications for energy conversion applications", MRS Communications, 1--8 (2017).
  12. Furman, David, Kosloff, Ronnie, and Zeiri, Yehuda, "Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate", The Journal of Physical Chemistry C, 120(50), 28886--28893 (2016).
  13. Furman, David, Kosloff, Ronnie, and Zeiri, Yehuda, "Mechanism of intact adsorbed molecules ejection using high intensity laser pulses", The Journal of Physical Chemistry C, 120(20), 11306--11312 (2016).
  14. Furman, David, Dubnikova, Faina, Van Duin, Adri CT, Zeiri, Yehuda, and Kosloff, Ronnie, "Reactive force field for liquid hydrazoic acid with applications to detonation chemistry", The Journal of Physical Chemistry C, 120(9), 4744--4752 (2016).
  15. Furman, David, Kosloff, Ronnie, Dubnikova, Faina, Zybin, Sergey V, Goddard III, William A, Rom, Naomi, Hirshberg, Barak, and Zeiri, Yehuda, "Decomposition of condensed phase energetic materials: Interplay between uni- and bimolecular mechanisms", Journal of the American Chemical Society, 136(11), 4192--4200 (2014).
  16. Rom, Naomi, Hirshberg, Barak, Zeiri, Yehuda, Furman, David, Zybin, Sergey V, Goddard III, William A, and Kosloff, Ronnie, "First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations", The Journal of Physical Chemistry C, 117(41), 21043--21054 (2013).