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- Srinath C Cheluvaraja, Mihail Mihailescu, Hagai Meirovitch
- The journal of physical chemistry. B
- 2008

Estimation of the energy from a given Boltzmann sample is straightforward since one just has to average the contribution of the individual configurations. On the other hand, calculation of the… (More)

- Srinath C Cheluvaraja, Hagai Meirovitch
- Journal of chemical theory and computation
- 2008

The hypothetical scanning molecular dynamics (HSMD) method is a relatively new technique for calculating the absolute entropy, S, and free energy, F, from a given sample generated by any simulation… (More)

- Srinath C Cheluvaraja, Hagai Meirovitch
- The Journal of chemical physics
- 2006

Hypothetical scanning (HS) is a method for calculating the absolute entropy S and free energy F from a sample generated by any simulation technique. With this approach each sample configuration is… (More)

- Srinath C Cheluvaraja, Hagai Meirovitch
- The Journal of chemical physics
- 2005

A new approach, the hypothetical scanning Monte Carlo (HSMC), for calculating the absolute entropy, S, and free energy, F, has been introduced recently and applied first to fluids (argon and water)… (More)

- Hagai Meirovitch, Srinath C Cheluvaraja, Ronald P. White
- Current protein & peptide science
- 2009

The Helmholtz free energy, F and the entropy, S are related thermodynamic quantities with a special importance in structural biology. We describe the difficulties in calculating these quantities and… (More)

- Srinath C Cheluvaraja, Hagai Meirovitch
- Proceedings of the National Academy of Sciences…
- 2004

A method called complete hypothetical scanning Monte Carlo has been introduced for calculating the absolute entropy, S, and free energy, F, of fluids. Here, the method is extended to peptide chains… (More)

Topologically non-trivial solutions are known to affect the long distance properties of gauge theories. By expanding around a gas of such solutions the partition function of gauge theories can be… (More)

We investigate some properties of thick vortices and thick monopoles in the SU(2) lattice gauge theory by inserting operators that create these excitations. We measure the derivative of the free… (More)

SU(2) lattice gauge theory is studied after eliminating thin monopoles and the smallest thick monopoles. Kinematically this constraint allows thick vortex loops which produce long range Z(2)… (More)

In 1992 the LSU group[1]demonstrated the viability of measuring the profile of the dual Abrikosov vortex between quark and antiquark as a signal of the spontaneous U(1) gauge symmetry breaking and… (More)