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Recent atomic force microscopy (AFM) experiments~[ACS Nano {\bf 2014}, 8, 12410-12417] conducted on graphene-coated SiO$_2$ demonstrated that monolayer graphene (G) can effectively screen dispersion van der Waals (vdW) interactions deriving…
Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conventional force fields in capturing their complex mechanical,…
Engineering light-matter interactions at the quantum level has been central to the pursuit of quantum optics for decades. Traditionally, this has been done by coupling emitters, typically natural atoms and ions, to quantized electromagnetic…
Understanding the dynamical evolution of large-scale moir\'e systems is crucial for connecting theoretical predictions with experimental observations. Here we develop a machine-learning-based workflow, integrating DeePMD and DeepH…
Molecular-level understanding of the interactions between the constituents of an atomic structure is essential for designing novel materials in various applications. This need goes beyond the basic knowledge of the number and types of…
A well-known drawback of state-of-the-art machine-learning interatomic potentials is their poor ability to extrapolate beyond the training domain. For small-scale problems with tens to hundreds of atoms this can be solved by using active…
The optical and electronic properties of van der Waals (vdW) heterostructures depend strongly on the atomic stacking order of the constituent layers. This is exemplified by periodic variation of the local atomic registry, known as moire…
Controlling magnetism in low dimensional materials is essential for designing devices that have feature sizes comparable to several critical length scales that exploit functional spin textures, allowing the realization of low-power…
Conventional Coulomb engineering, through controlled manipulation of the environment, offers an effective route to tune the correlation properties of atomically thin van der Waals materials via static screening. Here we present tunable…
Vertical stacking of two-dimensional (2D) crystals, such as graphene and hexagonal boron nitride, has recently lead to a new class of materials known as van der Waals heterostructures (vdWHs) with unique and highly tunable electronic…
Heavy fermion systems represent one of the paradigmatic strongly correlated states of matter. They have been used as a platform for investigating exotic behavior ranging from quantum criticality and non-Fermi liquid behavior to…
The few-body problem for $N=4$ fermionic charge carriers in a double-well moir\'{e} quantum dot (MQD), representing the first step in a bottom-up strategy to investigate formation of molecular supercrystals in transition metal…
Many-particle electron states in semiconductor quantum dots with carrier-mediated ferromagnetism are studied theoretically within the self-consistent Boltzmann equation formalism. Depending on the conditions, a quantum dot may contain there…
Technologies operating on the basis of quantum mechanical laws and resources such as phase coherence and entanglement are expected to revolutionize our future. Quantum technologies are often divided into four main pillars: computing,…
Qubits are the fundamental units in quantum computing, but they are also pivotal for advancements in quantum communication and sensing. Currently, there are a variety of platforms for qubits, including cold atoms, superconducting circuits,…
We describe here a theory of a quantum dot in an electrically tunable MoSe$_2$/WSe$_2$ heterostructure. Van der Waals heterostructures allow for tuning their electronic properties beyond their monolayer counterparts. We start by determining…
Recent studies of 2D moir\'e materials have opened opportunities for advancing condensed matter physics. However, the effect of 1D moir\'e potentials on topological and correlated phases remains largely unexplored. Here we reveal a sequence…
Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…
Fabrication of custom-built heterostructures based on stacked 2D materials provides an effective method to controllably tune electronic and optical properties. To that end, optimizing fabrication techniques for building these…
Moir\'e superlattices in van der Waals heterostructures have emerged as a powerful tool for engineering novel quantum phenomena. Here we report the observation of a correlated interlayer exciton insulator in a double-layer heterostructure…