With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition (PD) techni
ques in quantum chemistry. Specifically, we use PD techniques to decompose a target molecular system into smaller subsystems requiring fewer computational resources. In our framework, there are two levels of hybridization. At the first level, we use a classical algorithm to decompose a target molecule into subsystems, and utilize a quantum algorithm to simulate the quantum nature of the subsystems. The second level is in the quantum algorithm. We consider the quantum--classical variational algorithm that iterates between an expectation estimation using a quantum device and a parameter optimization using a classical device. We investigate three popular PD techniques for our hybrid approach: the fragment molecular-orbital (FMO) method, the divide-and-conquer (DC) technique, and the density matrix embedding theory (DMET). We examine the efficacy of these techniques in correctly differentiating conformations of simple alkane molecules. In particular, we consider the ratio between the number of qubits for PD and that of the full system; the mean absolute deviation; and the Pearson correlation coefficient and Spearmans rank correlation coefficient. Sampling error is introduced when expectation values are measured on the quantum device. Therefore, we study how this error affects the predictive performance of PD techniques. The present study is our first step to opening up the possibility of using quantum chemistry simulations at a scale close to the size of molecules relevant to industry on near-term quantum hardware.
The cosmic microwave background (CMB) contains perturbations that are close to Gaussian and isotropic. This means that its information content, in the sense of the ability to constrain cosmological models, is closely related to the number of modes pr
obed in CMB power spectra. Rather than making forecasts for specific experimental setups, here we take a more pedagogical approach and ask how much information we can extract from the CMB if we are only limited by sample variance. We show that, compared with temperature measurements, the addition of E-mode polarization doubles the number of modes available out to a fixed maximum multipole, provided that all of the TT, TE, and EE power spectra are measured. However, the situation in terms of constraints on particular parameters is more complicated, as we explain and illustrate graphically. We also discuss the enhancements in information that can come from adding B-mode polarization and gravitational lensing. We show how well one could ever determine the basic cosmological parameters from CMB data compared with what has been achieved with Planck, which has already probed a substantial fraction of the TT information. Lastly, we look at constraints on neutrino mass as a specific example of how lensing information improves future prospects beyond the current 6-parameter model.
Some of the most obviously correct physical theories - namely string theory and the multiverse - make no testable predictions, leading many to question whether we should accept something as scientific even if it makes no testable predictions and henc
e is not refutable. However, some far-thinking physicists have proposed instead that we should give up on the notion of Falsifiability itself. We endorse this suggestion but think it does not go nearly far enough. We believe that we should also dispense with other outdated ideas, such as Fidelity, Frugality, Factuality and other F words. And we quote a lot of famous people to support this view.
