The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecularbased spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. Using QTM, the spin degrees of freedom are accurately taken into account, yielding the thermodynamical functions at finite temperatures. In order to test the application for the susceptibility calculations to run in the parallel environment, the speed-up and efficiency of parallelization are analyzed on our platform SGI Origi...
A highly anticipated application for quantum computers is as a universal simulator of quantum many-b...
A suite of scalable atomistic simulation programs has been developed for materials research based on...
The unique principles of quantum mechanics may one day enable computers to perform operations that w...
AbstractThe deterministic quantum transfer-matrix (QTM) technique, its mathematical background, effe...
Our goal was to investigate the suitability of parallel supercomputer architectures for Quantum Mont...
A certain class of low-dimensional molecular magneticic systems is reviewed. Both a numerical quantu...
We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quant...
Recent advances in quantum mechanical (QM)-based molecular dynamics (MD) simulations have used machi...
This work studies different alternatives for parallelization of ground-state DMRG, with a focus on s...
We describe a program for quantum mechanical calculations of very large hydrocarbon polymer systems....
Recent developments in computer simulations of phase transitions in Ising-like systems andthermodyna...
This thesis, whose topic is quantum chemistry algorithms, is made in the context of the change in pa...
Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As...
Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As...
Knowledge of the structure and functionality of chemical systems does not only allow verification of...
A highly anticipated application for quantum computers is as a universal simulator of quantum many-b...
A suite of scalable atomistic simulation programs has been developed for materials research based on...
The unique principles of quantum mechanics may one day enable computers to perform operations that w...
AbstractThe deterministic quantum transfer-matrix (QTM) technique, its mathematical background, effe...
Our goal was to investigate the suitability of parallel supercomputer architectures for Quantum Mont...
A certain class of low-dimensional molecular magneticic systems is reviewed. Both a numerical quantu...
We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quant...
Recent advances in quantum mechanical (QM)-based molecular dynamics (MD) simulations have used machi...
This work studies different alternatives for parallelization of ground-state DMRG, with a focus on s...
We describe a program for quantum mechanical calculations of very large hydrocarbon polymer systems....
Recent developments in computer simulations of phase transitions in Ising-like systems andthermodyna...
This thesis, whose topic is quantum chemistry algorithms, is made in the context of the change in pa...
Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As...
Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As...
Knowledge of the structure and functionality of chemical systems does not only allow verification of...
A highly anticipated application for quantum computers is as a universal simulator of quantum many-b...
A suite of scalable atomistic simulation programs has been developed for materials research based on...
The unique principles of quantum mechanics may one day enable computers to perform operations that w...