182 citations · 387 across the 9 of their papers we have counts for
9 papers
Notes on the Hybrid Monte Carlo Method
Jeremy C. Palmer, Amir Haji-Akbari, Rakesh S. Singh +4
We discuss the detailed balance condition for hybrid Monte Carlo method
Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions
John W. Biddle, Rakesh S. Singh, Evan M. Sparano +7
One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If…
An Equation of State For The TIP4P/2005 Model of Water Including Negative Pressures
John W. Biddle, Rakesh S. Singh, Miguel A. González +5
One of the most promising frameworks for understanding the anomalies of cold and especially supercooled water is that of two-structure thermodynamics, in which water is viewed as a…
Two-State Thermodynamics and the Possibility of a Liquid-Liquid Phase Transition in Supercooled TIP4P/2005 Water
Rakesh S. Singh, John W. Biddle, Pablo G. Debenedetti +1
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a met…
Density and bond-orientational relaxations in supercooled water
Jeremy C. Palmer, Rakesh S. Singh, Renjie Chen +2
Recent computational studies have reported evidence of a metastable liquid-liquid phase transition (LLPT) in molecular models of water under deeply supercooled conditions. A compet…
Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water
Rakesh S. Singh, Biman Bagchi
The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable ph…
Solid-solid collapse transition in a two dimensional model molecular system
Rakesh S. Singh, Biman Bagchi
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molec…
Nucleation of a stable solid from melt in the presence of multiple metastable intermediate phases: Wetting, Ostwald step rule and vanishing polymorphs
Mantu Santra, Rakesh S. Singh, Biman Bagchi
In many systems, nucleation of a stable solid may occur in the presence of other (often more than one) metastable phases. These may be polymorphic solids or even liquid phases. In…
Gas-liquid Nucleation at Large Metastability
Mantu Santra, Rakesh S. Singh, Biman Bagchi
Nucleation at large metastability is still largely an unsolved problem, although is a problem of tremendous current interest, with wide practical value. It is well-accepted that th…