Related papers: Path Integral Molecular Dynamics for Bosons
Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by the large number of degrees of freedom and by the essential…
A mixture of two types of hard-sphere bosons in a disk-shaped harmonic trap is studied through path-integral quantum Monte Carlo simulation at low temperature. We find that the system can undergo a phase transition to break the spatial…
Trapped atomic ion crystals are a leading platform for quantum simulations of spin systems, with programmable and long-range spin-spin interactions mediated by excitations of phonons in the crystal. We describe a complementary approach for…
The boom of semiconductor quantum computing platforms created a demand for computer-aided design and fabrication of quantum devices. Path integral Monte Carlo (PIMC) can have an important role in this effort because it intrinsically…
The quantum many-body problem in condensed phases is often simplified using a quasiparticle description, such as effective mass theory for electron motion in a periodic solid. These approaches are often the basis for understanding many…
Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically. Often this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured,…
We study theoretically quantum dynamics of interacting bosons in artificial magnetic fields as engineered in recent ultracold atomic experiments, where quantum cyclotron orbital motion has been observed. With exact numerical simulations and…
Quantum simulation in its current state faces experimental overhead in terms of physical space and cooling. We propose boson sampling as an alternative compact synthetic platform performing at room temperature. Identifying the capability of…
We analyze the efficiency of quantum simulations of fermionic and bosonic models in trapped ions. In particular, we study the optimal time of entangling gates and the required number of total elementary gates. Furthermore, we exemplify…
A kink-based path integral method, previously applied to atomic systems, is modified and used to study molecular systems. The method allows the simultaneous evolution of atomic and electronic degrees of freedom. Results for CH$_4 $, NH$_3…
We introduce a quantum Monte Carlo algorithm to measure the R\'enyi entanglement entropies in systems of interacting bosons in the continuum. This approach is based on a path integral ground state method that can be applied to interacting…
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…
An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…
Photon losses are among the strongest imperfections affecting multi-photon interference. Despite their importance, little is known about their effect on boson sampling experiments. In this work we show that using classical computers, one…
A one-dimensional system of two trapped bosons which interact through a contact potential is studied using the optimized configuration interaction method. The rapid convergence of the method is demonstrated for trapping potentials of convex…
Boson Sampling is a computational paradigm representing one of the most viable and pursued approaches to demonstrate the regime of quantum advantage. Recent results have demonstrated significant technological leaps in single-photon…
A system of trapped ions under the action of off--resonant standing--waves can be used to simulate a variety of quantum spin models. In this work, we describe theoretically quantum phases that can be observed in the simplest realization of…
Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…
We propose a method to simulate spin models in trapped ions using a digital-analog approach, consisting in a suitable gate decomposition in terms of analog blocks and digital steps. In this way, we show that the quantum dynamics of an…
Photons naturally solve the BosonSampling problem: sample the outputs of a multi-photon experiment in a linear-optical interferometer. This is strongly believed to be hard to do on a classical computer, and motivates the development of…