Related papers: Quantum Computation of Hydrogen Bond Dynamics and …
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
An in-depth insight into the chemistry and nature of the individual chemical bonds is essential for understanding materials. Bonding analysis is thus expected to provide important features for large-scale data analysis and machine learning…
Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…
Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabatic ones, where the Born-Oppenheimer approximation breaks…
The chemical bond is an important local concept to understand chemical compounds and processes. Unfortunately, like most local concepts, the chemical bond and the bond order do not correspond to any physical observable and thus cannot be…
High sensitivity quantum interferometry requires more than just access to entangled states. It is achieved through deep understanding of quantum correlations in a system. Integrable models offer the framework to develop this understanding.…
Water is an ubiquitous liquid that has several exotic and anomalous properties. Despite its apparent simple chemical formula, its capability of forming a dynamic network of hydrogen bonds leads to a rich variety of physics. Here we study…
The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The…
Modeling composite systems of spins or electrons coupled to bosonic modes is of significant interest for many fields of applied quantum physics and chemistry. A quantum simulation can allow for the solution of quantum problems beyond…
The hybrid approach to quantum computation simultaneously utilizes both discrete and continuous variables which offers the advantage of higher density encoding and processing powers for the same physical resources. Trapped ions, with…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
Quantum processors enable computational speedups for machine learning through parallel manipulation of high-dimensional vectors. Early demonstrations of quantum machine learning have focused on processing information with qubits. In such…
Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharmaceuticals. However, the application of quantum computing for…
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…
We implement several quantum algorithms in real five-qubit superconducting quantum processor IBMqx4 to perform quantum computation of the dynamics of spin-1/2 particles interacting directly and indirectly through the boson field.…
Describing and understanding the motion of quantum gases out of equilibrium is one of the most important modern challenges for theorists. In the groundbreaking Quantum Newton Cradle experiment [Kinoshita, Wenger and Weiss, Nature 440, 900,…
Ion-trap quantum computers offer a large number of possible qubit couplings, each of which requires individual calibration and can be misconfigured. To enhance the duty cycle of an ion trap, we develop a strategy that diagnoses individual…
The resources required to characterise the dynamics of engineered quantum systems-such as quantum computers and quantum sensors-grow exponentially with system size. Here we adapt techniques from compressive sensing to exponentially reduce…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…