Econophysics has developed as a research field that applies the formalism of Statistical Mechanics and Quantum Mechanics to address Economics and Finance problems. The branch of Econophysics that applies of Quantum Theory to Economics and Finance is called Quantum Econophysics. In Finance, Quantum Econophysics’ contributions have ranged from option pricing to market dynamics modeling, behaviora...

A semiempirical AM1/d Hamiltonian is developed to model phosphoryl transfer reactions catalyzed by enzymes and ribozymes for use in linear-scaling calculations and combined quantum mechanical/molecular mechanical simulations. The model, designated AM1/d-PhoT, is parametrized for H, O, and P atoms to reproduce high-level density-functional results from a recently constructed database of quantum ...

We discuss hybrid quantum-mechanics/molecular-mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) generalizations to our recently developed quantum wavepacket ab initio molecular dynamics methodology for simultaneous dynamics of electrons and nuclei. The approach is a synergy between a quantum wavepacket dynamics, ab initio molecular dynamics, and the ONIOM scheme. We utilize this...

OBJECTIVE(S) The structure- activity relationship of a series of 36 molecules, showing L-type calcium channel blocking was studied using a QSAR (quantitative structure-activity relationship) method. MATERIALS AND METHODS Structures were optimized by the semi-empirical AM1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. Several types of d...

In this paper, we describe a natural method to extend left invariant weights on C *-algebraic quantum groups. This method is then used to improve the invariance property of a left invariant weight. We also prove some kind of uniqueness result for left Haar weights on C *-algebraic quantum groups arising from algebraic ones.

From Classical to Quantum Mechanics: " How to translate physical ideas into mathematical language " Abstract In this paper, we investigate the connection between Classical and Quantum Mechanics by dividing Quantum Theory in two parts:-General Quantum Axiomatics (a system is described by a state in a Hilbert space, observables are self-adjoints operators and so on...)-Quantum Mechanics properly ...

A molecular-orbital derived polarizable potential function is developed to model liquid and supercritical fluid hydrogen fluoride. The model is based on a novel application of a combined quantum-mechanical and molecular-mechanical ~QM/MM! approach, which treats molecular polarization by a semiempirical method. Two geometrical models are examined, differing in the intramolecular bond length for ...