相关论文: Systematic Builder for All-Atom Simulations of Pla…
Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with…
The objective of this work is to improve the robustness and accuracy of numerical simulations of both ideal and non-ideal explosives by introducing temperature dependence in mechanical equations of state for reactants and products. To this…
Dressed Rydberg atoms in optical lattices are a promising platform for the quantum simulation of intriguing phenomena emerging in strongly interacting systems. Relevant to such a setup, we investigate the phase diagram of hard-core bosons…
An intense positron sources is a demanding element in the design of future lepton colliders. A crystal-based hybrid positron source could be an alternative to a more conventional scheme based on the electron conversion into positron in a…
Several recent experiments have demonstrated the promise of atomic ensembles for quantum teleportation and quantum memory. In these cases the collective internal state of the atoms is well described by continuous variables $X_1, P_1$ and…
Graphene-based materials (GBMs) constitute a large family of materials which has attracted great interest for potential applications. In this work, we apply first-principles calculations based on density functional theory (DFT) and fully…
Accurate simulation of physical processes is crucial for the success of modern particle physics. However, simulating the development and interaction of particle showers with calorimeter detectors is a time consuming process and drives the…
Structurally disordered materials continue to pose fundamental questions, including that of how different disordered phases ("polyamorphs") can coexist and transform from one to another. As a widely studied case, amorphous silicon (a-Si)…
Traditional self-assembly methods often rely on densely packed colloidal crystalline structures and have inherent limitations in generating materials with isotropic photonic bandgaps (PBG). This study explores the photonic properties of…
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…
We simulated the Coulomb explosion dynamics due to the fast ionization induced by high-intensity X-rays in six proteins that share similar atomic content and shape. We followed and projected the trajectory of the fragments onto a virtual…
We construct a new reduced nuclear reaction network able to reproduce the energy production due to the photo-disintegration of heavy elements such as Ru, which are believed to occur during superbursts in mixed H/He accreting systems. We use…
Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low and anisotropic thermal conductivity and it is believed that…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
It has recently been established that quantum many-body scarring can prevent the thermalisation of some isolated quantum systems, starting from certain initial states. One of the first models to show this was the so-called PXP Hamiltonian,…
Recent observations of superconductivity in Moire graphene have lead to an intense interest in that system, with subsequent studies revealing a more complex phase diagram including correlated insulators and ferromagnetic phases. Here we…
The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…
Within the MNPBEM toolbox, developed for the simulation of plasmonic nanoparticles using a boundary element method approach, we show how to include substrate and layer structure effects. We develop the methodology for solving Maxwell's…
Engineering structure of grain boundaries (GBs) by solute segregation is a promising strategy to tailor the properties of polycrystalline materials. Theoretically it has been suggested that solute segregation can trigger phase transitions…
Relativistic collisionless shocks are associated with efficient particle acceleration when propagating into weakly magnetized homogeneous media; as the magnetization increases, particle acceleration becomes suppressed. We demonstrate that…