相关论文: Antisymmetrized molecular dynamics and its applica…

The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…

Antisymmetrized molecular dynamics with quantum branching is generalized so as to allow finite time duration of the unrestricted coherent mean field propagation which is followed by the decoherence into wave packets. In this new model, the…

Multifragmentation scenarios, as predicted by antisymmetrized molecular dynamics (AMD) or momentum-dependent stochastic mean-field (BGBD) calculations are compared. While in the BGBD case fragment emission is clearly linked to the spinodal…

We recently proposed a new variational theory of "tensor-optimized antisymmetrized molecular dynamics" (TOAMD), which treats the strong interaction explicitly for finite nuclei [T. Myo et al., Prog. Theor. Exp. Phys. 2015, 073D02 (2015)].…

For the first time primary hot isotope distributions are experimentally reconstructed in intermediate heavy ion collisions and used with antisymmetrized molecular dynamics (AMD) calculations to determine density, temperature and symmetry…

The structure of nanoclusters is complex to describe due to their noncrystallinity, even though bonding and packing constraints limit the local atomic arrangements to only a few types. A computational scheme is presented to extract…

Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduce and evaluate both descriptor-based and end-to-end models…

Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…

A modified version of the Multicluster Dynamic Model of nuclei is proposed to construct completely antisymmetrized wave functions of multicluster systems. An overlap kernel operator is introduced to renormalize the total wave function after…

We have employed non-adiabatic molecular dynamics based on time-dependent density-functional theory to characterize the scattering behaviour of a proton with the Li$_4$ cluster. This technique assumes a classical approximation for the…

Hyperspectral neutron tomography is an effective method for analyzing crystalline material samples with complex compositions in a non-destructive manner. Since the counts in the hyperspectral neutron radiographs directly depend on the…

Time crystals, a unique non-equilibrium quantum phenomenon with promising applications in current quantum technologies, mark a significant advance in quantum mechanics. Although traditionally studied in atom-cavity and optical lattice…

We study the tensor-optimized antisymmetrized molecular dynamics (TOAMD) as a successive variational method in many-body systems with strong interaction for nuclei. In TOAMD, the correlation functions for the tensor force and the…

We review the new possibilities offered by the reaction dynamics of asymmetric heavy ion collisions, using stable and unstable beams. We show that it represents a rather unique tool to probe regions of highly Asymmetric Nuclear Matter…

While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a test set alone is not a guarantee for robust chemical modeling…

Momentum distribution of fragments produced in 12C+12C reaction at 28.7 MeV/nucleon is analyzed with antisymmetrized version of molecular dynamics (AMD). Calculations are made for several cases of stochastic collisions and the projectile…

The electric dipole polarizability $\alpha_D$ and the neutron skin thickness $\Delta R_{np}$ of $^{208}\mathrm{Pb}$ are two powerful and clean probes to constrain the symmetry energy at subsaturation density. Within the framework of the…

Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…

Molecular dynamics (MD) simulation based on Langevin equation has been widely used in the study of structural, thermal properties of matters in difference phases. Normally, the atomic dynamics are described by classical equations of motion…

A clustering aspect is explained for the $^9$Be nucleus in charged-lepton deep inelastic scattering. Nuclear modifications of the structure function $F_2$ are studied by the ratio $R_{\rm EMC} = F_2^A /F_2^D$, where $A$ and $D$ are a…