David Furman

Latest

• Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
• Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide
• Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth
• Electronic structure of $β$-NiOOH with hydrogen vacancies and implications for energy conversion applications
• Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study
• Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate
• Mechanism of intact adsorbed molecules ejection using high intensity laser pulses
• Reactive force field for liquid hydrazoic acid with applications to detonation chemistry
• Decomposition of condensed phase energetic materials: Interplay between uni- and bimolecular mechanisms
• First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations