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The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to compress and explore chemical space efficiently. One of the…
We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\hat{\rm{z}}$ direction…
Electric dipole moments (EDMs) of elementary particles and atoms probe violations of T and P symmetries and consequently of CP if CPT is an exact symmetry. We point out that EDMs can also serve as sensitive probes of CPT-odd, CP-even…
We review current status of the study of parity and time invariance phenomena in atoms, nuclei and molecules. We focus on three most promising areas of research: (i) parity non-conservation in a chain of isotopes, (ii) search for nuclear…
In a combined experimental and theoretical effort, we demonstrate a novel type of dipolar system made of ultracold bosonic dipolar molecules with large magnetic dipole moments. Our dipolar molecules are formed in weakly bound Feshbach…
Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called dipole-bound anions. Because long-range correlation effects…
The electric dipole moment (EDM) is an excellent probe of new physics beyond the standard model of particle physics. The EDM of light nuclei is particularly interesting due to the high sensitivity to the hadron level CP violation. In this…
We study electric dipole moments (EDM) of electron and proton in E(6)--inspired supersymmetric models with an extra U(1) invariance. Compared to the Minimal Supersymmetric Standard Model (MSSM), in addition to offering a natural solution to…
Molecular dipole moment in liquid water is an intriguing property, partly due to the fact that there is no unique way to partition the total electron density into individual molecular contributions. The prevailing method to circumvent this…
The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…
We put forward the idea of establishing a novel interdisciplinary field of research at the interface between quantum mechanics and proteomics. The new field, called quantum proteomics, is defined as the large-scale study of the electronic…
We present a multitask machine learning strategy for improving the prediction of molecular dipole moments by simultaneously training on quantum dipole magnitudes and inexpensive Mulliken atomic charges. With dipole magnitudes as the primary…
Electric dipole moment (EDM) measurements using paramagnetic molecules have significantly advanced over the last decade. Traditionally, these experiments have been analyzed in terms of the electron EDM. However, paramagnetic molecules are…
Embedding molecular symmetries into machine-learning models is key for efficient learning of chemico-physical scalar properties, but little evidence on how to extend the same strategy to tensorial quantities exists. Here we formulate a…
In this proceeding, we present the results of the theoretical evaluations of the electric dipole moment (EDM) of light nuclei, including the preliminary value for the 11B nucleus. From the data, we can infer an approximate counting rule,…
According to density functional theory, any chemical property can be inferred from the electron density, making it the most informative attribute of an atomic structure. In this work, we demonstrate the use of established physical methods…
Molecular dipole moments of analytic density-functional theory are investigated. The effect of element-dependent exchange potentials on these moments are examined by comparison with conventional quantum-chemical methods and experiment for…
We consider the positions and velocities of electrons and spinning nuclei and demonstrate that these particles harbour hidden momentum when located in an electromagnetic field. This hidden momentum is present in all atoms and molecules,…
Dipole moment functions of isotopomeric molecular ions, HCl+ and DCl+, are considered in the two coordinate systems, center of mass of nuclei and center of nuclear charges, both through simple analytical derivations and ab initio…
The interaction of an electron with a polar molecule is shown to be the simplest realization of a quantum anomaly in a physical system. The existence of a critical dipole moment for electron capture and formation of anions, which has been…