Related papers: UVGI Scientific Calculator
Mammography is a vital screening technique for early revealing and identification of breast cancer in order to assist to decrease mortality rate. Practical applications of mammograms are not limited to breast cancer revealing,…
Running quantum algorithms on real hardware is essential for understanding their strengths and limitations, especially in the noisy intermediate scale quantum (NISQ) era. Herein we focus on the practical aspect of quantum computational…
We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
Calculations of observables in quantum chromodynamics are typically performed using a method that combines numerical integrations over the momenta of final state particles with analytical integrations over the momenta of virtual particles.…
eQuilibrator (equilibrator.weizmann.ac.il) is a calculator for biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts ${\sim}1000$ distinct monthly users, its…
Photocatalysis is often used in air purification. Photocatalytic degradation od VOC's has been investigated in a number of devices. An optimisation of this process requires a chracterisation of the reactor : in a first step the gas flow…
The continued development of computational approaches to many-body ground-state problems in physics and chemistry calls for a consistent way to assess its overall progress. In this work, we introduce a metric of variational accuracy, the…
Simulating quantum states on a classical computer is hard, typically requiring prohibitive resources in terms of memory and computational power. Efficient simulation, however, can be achieved for certain classes of quantum states, in…
In this paper, we provide assembly instructions for an easy to build experimental setup in order to gain practical experience with tomography. In view of this, this paper can be seen as a complementary work to excellent mathematical…
Mortality risk is a major concern to patients have just been discharged from the intensive care unit (ICU). Many studies have been directed to construct machine learning models to predict such risk. Although these models are highly…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…
We study the efficiency of quantum algorithms which aim at obtaining phase space distribution functions of quantum systems. Wigner and Husimi functions are considered. Different quantum algorithms are envisioned to build these functions,…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
Quantum computers have attracted much attention in recent years. This is because the development of the actual quantum machine is accelerating. Research on how to use quantum computers is active in the fields such as quantum chemistry and…
Significant research has shown that UV-C exposure is an effective disinfectant for a range of bacteria and viruses, including coronaviruses. As such, a UV-C treatment in combination with a chemical wipe, such as EPA hydrogen peroxide, is a…
We present GPR_calculator, a package based on Python and C++ programming languages to build an on-the-fly surrogate model using Gaussian Process Regression (GPR) to approximate expensive electronic structure calculations. The key idea is to…
The exponential growth of the power of modern digital computers is based upon the miniaturisation of vast nanoscale arrays of electronic switches, but this will be eventually constrained by fabrication limits and power dissipation. Chemical…
Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…
Co-simulation platforms are necessary to study the interactions of complex systems integrated in future smart grids. The Virtual Grid Integration Laboratory (VirGIL) is a modular co-simulation platform designed to study interactions between…