We compute the critical behaviour of three-dimensional scalar theories using a new exact non-perturbative evolution equation. Our values for the critical exponents agree well with previous precision estimates.

Theoretical studies of self-assembly processes and condensed phases in colloidal systems are often based on effective interparticle potentials. Here we show that developing an effective potential for particles interacting with a limited number of "lock-and-key" selective bonds (due to the specificity of biomolecular interactions) requires-in addition to the nonsphericity of the potential-a (man...

computer simulation techniques are employed to obtain binding energies of 2,3 and 4 vacancy clusters in a -iron using the finnis sinclair many body potential. the results are compared with earlier pair potential calculations. the many body potential is found to be quite successful in simulating vacancy clusters

The effective fragment potential (EFP) method is described and its capabilities illustrated using several applications. The original method, EFP1, was primarily developed to describe aqueous solvation, by representing Coulombic, induction and repulsive interactions via one-electron terms in the ab initio Hamiltonian. It is demonstrated, using water clusters, the Menshutkin reaction and the glyc...

In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inhibitor (CMTI-I) and glycerol at the AM1 level. An effective potential, combining non-bonding and polarization plus charge transfer (PLCT) terms, was introduced to evaluate the magnitude of the interaction between each amino acid and the ligand. In this case study,...

It is found that the position of the first minimum of the Wills-Harrison effective pair potential in the liquid Ni very slightly depends on the probability that not only the diagonal d-d couplings between two atoms are possible. This result denotes that the account of the non-diagonal couplings is not such important for the liquid Ni as for both the liquid Fe and liquid Co.

A new effective pair potential model is proposed for computer simulations of liquid methylene fluoride and used in Monte Carlo simulations on the isothermal-isobaric ensemble at two different temperatures. The new model is able to reproduce the thermodynamic ~internal energy, density, heat capacity, vapor-liquid equilibrium! and structural ~neutron diffraction data! properties of liquid methyle...

the intuitionistic fuzzy set has been applied to game theory very rarely since it was introduced by atanassov in 1983. the aim of this paper is to develop an effective methodology for solving matrix games with payoffs of atanassov’s triangular intuitionistic fuzzy numbers (tifns). in this methodology, the concepts and ranking order relations of atanassov’s tifns are defined. a pair of bi-object...