Among the many computational challenges faced across different disciplines, quantum-
mechanical systems pose some of the hardest ones and offer a natural playground for the …

Conspectus Simulating molecular dynamics (MD) within a comprehensive quantum
framework has been a long-standing challenge in computational chemistry. An exponential …

Quantum computers offer an intriguing path for a paradigmatic change of computing in the
natural sciences and beyond, with the potential for achieving a so-called quantum …

Gate-based quantum computers typically encode and process information in two-
dimensional units called qubits. Using d-dimensional qudits instead may offer intrinsic …

Novel medication development is a time-consuming and expensive multistage procedure.
Recent technology developments have lowered timeframes, complexity, and cost …

The real-time simulation of large many-body quantum systems is a formidable task, that may
only be achievable with a genuine quantum computational platform. Currently, quantum …

TenCirChem is an open-source Python library for simulating variational quantum algorithms
for quantum computational chemistry. TenCirChem shows high-performance in the …

The simulation of quantum dynamics calls for quantum algorithms working in first quantized
grid encodings. Here, we propose a variational quantum algorithm for performing quantum …

Classical simulations of real-space quantum dynamics are challenging due to the
exponential scaling of computational cost with system dimensions. Quantum computers offer …

Digital quantum simulation of electron-phonon systems requires truncating infinite phonon
levels into N basis states and then encoding them with qubit computational basis. Unary …