30 citations · 47 across the 5 of their papers we have counts for
5 papers
Potential tuning in the S-W system. (i) Bringing Tc,2 to ambient pressure, and (ii) colliding Tc,2 with the liquid-vapor spinodal
C. Austen Angell, Vitaliy Kapko
Following Vasisht et al's identification of the second critical point (Tc2,Pc2) for liquid silicon in the Stillinger-Weber (S-W) model for silicon, we study the variation of Tc2,Pc…
Density of mechanisms within the flexibility window of zeolites
V. Kapko, C. Dawson, I. Rivin +1
By treating idealized zeolite frameworks as periodic mechanical trusses, we show that the number of flexible folding mechanisms in zeolite frameworks is strongly peaked at the mini…
Potential-tuning molecular dynamics studies of fusion, and the question of ideal glassformers: (I) The Gay-Berne model
Vitaliy Kapko, Dmitry V. Matyushov, C. Austen Angell
The ability of some liquids to vitrify during supercooling is usually seen as a consequence of the rates of crystal nucleation (and/or crystal growth) becoming small- thus a matter…
Energetics and Kinetics of Primary Charge Separation in Bacterial Photosynthesis
David N. LeBard, Vitaliy Kapko, Dmitry V. Matyushov
We report the results of Molecular Dynamics (MD) simulations and formal modeling of the free energy surfaces and reaction rates of primary charge separation in the reaction center…
Thermodynamics and Dynamics of a Monoatomic Glass-Former. Constant Pressure and Constant Volume Behavior
Vitaliy Kapko, Dmitry V. Matyushov, C. Austen Angell
We report constant-volume and constant-pressure simulations of the thermodynamic and dynamic properties of the low-temperature liquid and crystalline phases of the modified Stillin…