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Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped by the slow nuclear rearrangement on a femtosecond timescale…

Chemical Physics · Physics 2021-09-20 Nikolay V. Golubev , Jiří Vaníček , Alexander I. Kuleff

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all scientific…

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information, and the coherent conversion of quantum information between atomic and optical degrees of…

Quantum Physics · Physics 2008-04-08 S. D. Barrett , P. P. Rohde , T. M. Stace

Over the last decade, researchers have studied the synergy between quantum computing (QC) and classical machine learning (ML) algorithms. However, measurements in QC often disturb or destroy quantum states, requiring multiple repetitions of…

Quantum Physics · Physics 2023-06-02 Robbe De Prins , Guy Van der Sande , Peter Bienstman

Bloch oscillations of atoms in optical lattices are a powerful technique that can boost the sensitivity of atom interferometers to a wide range of signals by large momentum transfer. To leverage this method to its full potential, an…

Linear optics quantum computing (LOQC) is a leading candidate for the implementation of large scale quantum computers. Here quantum information is encoded into the quantum states of light and computation proceeds via a linear optics…

Quantum Physics · Physics 2012-11-21 Peter P. Rohde

The dynamics of matter waves in the atomic to molecular condensate transition with a time-modulated atomic scattering length is investigated. Both the cases of rapid and slow modulations are studied. In the case of rapid modulations, the…

Quantum Gases · Physics 2021-08-27 F Kh Abdullaev , M Ogren , J S Yuldashev

The optomechanical character of molecules was discovered by Raman about one century ago. Today, molecules are promising contenders for high-performance quantum optomechanical platforms because their small size and large energy-level…

Quantum Physics · Physics 2021-09-22 Burak Gurlek , Vahid Sandoghdar , Diego Martin-Cano

We develop a scalable architecture for quantum computation using controllable electrons of double-dot molecules coupled to a microwave stripline resonator on a chip, which satisfies all Divincenzo criteria. We analyze the performance and…

Quantum Physics · Physics 2011-01-14 Peng Xue

High-Q optical resonators allow label-free detection of individual nanoparticles through perturbation of optical signatures but have practical limitations due to reliance on random diffusion to deliver particles to the sensing region. We…

Optics · Physics 2016-10-03 Jeewon Suh , Kewen Han , Christopher W Peterson , Gaurav Bahl

The manipulation of neutral atoms by light is at the heart of countless scientific discoveries in the field of quantum physics in the last three decades. The level of control that has been achieved at the single particle level within arrays…

Modern resonant spectroscopic experiments to measure transition frequencies in atoms have reached a level where a meticulous description of all aspects of the processes under study has become obligatory. The precision achieved in the…

Atomic Physics · Physics 2025-09-11 D. Solovyev , T. Zalialiutdinov , A. Anikin , L. Labzowsky

Nonlinear optics underpins quantum photonics by enabling the generation and control of quantum states of light. We present new applications of optical resonators as mode selectors in nonlinear processes. First, we show that cavity-enhanced…

Quantum Physics · Physics 2025-10-02 Xin Chen

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…

Quantum computers may achieve speedups over their classical counterparts for solving linear algebra problems. However, in some cases -- such as for low-rank matrices -- dequantized algorithms demonstrate that there cannot be an exponential…

Quantum Physics · Physics 2023-05-16 Ashley Montanaro , Changpeng Shao

Attosecond science has been transforming our understanding of electron dynamics in atoms, molecules and solids. However, to date almost all of the attoscience experiments have been based on spectroscopic measurements because attosecond…