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Results for “EXCLUSIVE INTERACTIONS”

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DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Anks3 alters the sub-cellular localization of the Nek7 kinase

Nephronophthisis (NPH) is an autosomal recessive cystic kidney disease, and a frequent cause of end-stage renal failure in children. To date, 17 NPH-associated gene products (NPHPs) have been identified. Most NPHPs participate in large multi-protein complexes that localize to the cilium and/or basal body; however, the precise composition of these complexes and their biological function remain largely unknown. We recently observed that the ankyrin repeat protein Anks3 interacts with the NPH family member Anks6. Both Anks3 and Anks6 form complexes with multiple other NPHPs, suggesting that both proteins function in similar or overlapping signaling pathways. Here, we show that Anks3, but not Anks6 interacted with the NIMA-related kinase Nek7, and was heavily modified in the presence of Nek7, resulting in an approximately 20 kD increase in molecular weight. Although mass spectrometry revealed increased serine and threonine phosphorylation of Anks3 primarily within the N-terminal ankyrin repeats also required for Nek7 interaction, the molecular weight increase occurred even in the presence of a kinase-dead Nek7 mutant, indicating that this modification was not caused by Nek7-dependent Anks3 phosphorylation. Furthermore, the Anks3 modification was specific for Nek7, and did not occur in the presence of Nek8. Importantly, Anks3 retained Nek7 in the cytoplasm, suggesting that, Nek7 triggers the modification of Anks3, which in turn prevents the nuclear localization of Nek7. - Highlights: • Anks3 interacted with Nek7 kinase, and was heavily modified in the presence of Nek7. • Anks3 N-terminal ankyrin repeats, but not SAM domain required for Nek7 interaction. • Nek7 increased Ser/Thr phosphorylation of Anks3 primarily within ankyrin domain. • Interaction with Anks3 led to cytoplasmic retention and nuclear exclusion of Nek7.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite

Magnetoelectrics offer tantalizing opportunities for devices coupling ferroelectricity and magnetism but remain difficult to realize. Breakthrough strategies could circumvent the mutually exclusive origins of magnetism and ferroelectricity by exploiting the interaction of multiple phonon modes in geometric improper and hybrid improper ferroelectrics. Yet, the proposed instability of a zone-boundary phonon mode, driving the emergence of ferroelectricity via coupling to a polar mode, remains to be directly observed. Here, we provide previously missing evidence for this scenario in the archetypal improper ferroelectric, yttrium manganite, through comprehensive scattering measurements of the atomic structure and phonons, supported with first-principles simulations. Our experiments and theoretical modeling resolve the origin of the unusual temperature dependence of the polarization and rule out a reported double-step ferroelectric transition. These results emphasize the critical role of phonon anharmonicity in rationalizing lattice instabilities in improper ferroelectrics and show that including these effects in simulations could facilitate the design of magnetoelectrics.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Atmospheric Neutrinos as a Tool for Exploring the Earth’s Inner Parts

Investigation of the Earth’s inner parts requires developing new methods. It is well known that atmospheric neutrinos traverse the Earth, undergoing virtually no interaction. The change in the neutrino flux is due exclusively to neutrino oscillations, which are enhanced by the effect of Earth’s matter. At the present time, there are two projects outside Russia (PINGU and ORCA) that are aimed at detecting atmospheric neutrinos that traversed the Earth, which are supposed to be used for purposes of Earth’s tomography. The creation of a large neutrino detector on the basis of a liquid scintillator is planned at the BaksanNeutrino Observatory (Institute for Nuclear Research, Russian Academy of Sciences) in the North Caucasus. After testing this detector, there will arise the possibility of employing it as part of the worldwide network of neutrino detectors for studying the Earth’s inner parts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Constraining Systematics at SBND to Reduce Uncertainties in SBN Oscillation Analyses

The Short Baseline Near Detector (SBND) is a crucial component of the Short Baseline Neutrino (SBN) Program, situated 110 meters from the Booster Neutrino Beam (BNB) target. This 112-ton Liquid Argon Time Projection Chamber (LArTPC) Near Detector is optimally positioned to investigate the potential existence of an additional flavor of neutrino through neutrino oscillation. Due to its proximity to the BNB target, SBND is uniquely positioned to receive a high rate of un-oscillated neutrino events. This setup offers a valuable opportunity to examine exclusive channels, thereby enhancing our understanding of various neutrino interaction modes, aiding in the understanding and mitigation of various sources of uncertainties. By fully utilizing the detector's capabilities, we aim to mitigate significant uncertainties in neutrino oscillation studies, primarily those related to neutrino interactions and flux. Achieving a deeper understanding of these uncertainties and controlling them with near detector data is essential. In this poster I will present an SBND event selection to control these uncertainties for the SBN oscillation analyses.

Yadav, Shweta [Texas U., Arlington]↗

NASA NTRS1976

High-beta effects and anomalous diffusion in plasmas expanding into magnetic fields

A metallic laser-produced plasma is allowed to expand transversely into an applied magnetic field, under conditions where the typical ion cyclotron radius is much larger, and the electron cyclotron radius much smaller, than the experimental dimensions. A stationary background plasma may also be present. Initially, the flow energy density exceeds (B squared/8 times pi), where B is the ambient magnetic field. Magnetic coil probes, Langmuir probes, and microwave diagnostics are used to study the plasma-field interaction. Field compression at the leading edge and field exclusion within the expanding plasma are seen. The diagnostic measurements and comparison with a theoretical model demonstrate plasma turbulence and anomalously high diffusion of field into the expanding plasma.

Koopman, D. W.↗

DOE OSTI2023

Cooperative microbial interactions drive spatial segregation in porous environments

The role of microbial interactions and the underlying mechanisms that shape complex biofilm communities are poorly understood. Here we employ a microfluidic chip to represent porous subsurface environments and show that cooperative microbial interactions between free-living and biofilm-forming bacteria trigger active spatial segregation to promote their respective dominance in segregated microhabitats. During initial colonization, free-living and biofilm-forming microbes are segregated from the mixed planktonic inoculum to occupy the ambient fluid and grain surface. Contrary to spatial exclusion through competition, the active spatial segregation is induced by cooperative interactions which improves the fitness of both biofilm and planktonic populations. We further show that free-living Arthrobacter induces the surface colonization by scavenging the biofilm inhibitor, D-amino acids and receives benefits from the public goods secreted by the biofilm-forming strains. Collectively, our results reveal how cooperative microbial interactions may contribute to microbial coexistence in segregated microhabitats and drive subsurface biofilm community succession.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Probing short-range nucleon-nucleon interactions with an electron-ion collider

For this research, we derive the cross section for exclusive vector meson production in high-energy deeply inelastic scattering off a deuteron target that disintegrates into a proton and a neutron carrying large relative momentum in the final state. This cross section can be expressed in terms of a novel gluon transition generalized parton distribution (T-GPD); the hard scale in the final state makes the T-GPD sensitive to the short-distance nucleon-nucleon interaction. We perform a toy model computation of this process in a perturbative framework and discuss the time scales that allow the separation of initial- and final-state dynamics in the T-GPD. We outline the more general computation based on the factorization suggested by the toy computation: In particular, we discuss the relative role of “pointlike” and “geometric” Fock configurations that control the parton dynamics of short-range nucleon-nucleon scattering. With the aid of exclusive J/ψ production data at the Hadron-Electron Ring Accelerator at DESY, as well as elastic nucleon-nucleon cross sections, we estimate rates for exclusive deuteron photodisintegration at a future Electron-Ion Collider (EIC). Our results, obtained using conservative estimates of EIC integrated luminosities, suggest that center-of-mass energies sNN ~12GeV 2 of the neutron-proton subsystem can be accessed. We argue that the high energies of the EIC can address outstanding dynamical questions regarding the short-range quark-gluon structure of nuclear forces by providing clean gluon probes of such “knockout” exclusive reactions in light and heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Selective triplet exciton formation in a single molecule

The formation of excitons in organic molecules by charge injection is an essential process in organic light-emitting diodes (OLEDs). According to a simple model based on spin statistics, the injected charges form spin-singlet (S1) excitons and spin-triplet (T 1 ) excitons in a 1:3 ratio. After the first report of a highly efficient OLED based on phosphorescence, which is produced by the decay of T 1 excitons, more effective use of these excitons has been the primary strategy for increasing the energy efficiency of OLEDs. Another route to improving OLED energy efficiency is reduction of the operating voltage. Because T 1 excitons have lower energy than S 1 excitons (owing to the exchange interaction), use of the energy difference could—in principle—enable exclusive production of T 1 excitons at low OLED operating voltages. However, a way to achieve such selective and direct formation of these excitons has not yet been established. Here we report a single-molecule investigation of electroluminescence using a scanning tunnelling microscope and demonstrate a simple method of selective formation of T 1 excitons that utilizes a charged molecule. A 3,4,9,10-perylenetetracarboxylicdianhydride (PTCDA) molecule adsorbed on a three-monolayer NaCl film atop Ag(111) shows both phosphorescence and fluorescence signals at high applied voltage. In contrast, only phosphorescence occurs at low applied voltage, indicating selective formation of T 1 excitons without creating their S 1 counterparts. The bias voltage dependence of the phosphorescence, combined with differential conductance measurements, reveals that spin-selective electron removal from a negatively charged PTCDA molecule is the dominant formation mechanism of T 1 excitons in this system, which can be explained by considering the exchange interaction in the charged molecule. Our findings show that the electron transport process accompanying exciton formation can be controlled by manipulating an electron spin inside a molecule. We anticipate that designing a device taking into account the exchange interaction could realize an OLED with a lower operating voltage.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance

Semiclassical electrodynamics (with quantum matter plus classical electrodynamics fields) is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be described instantaneously by static two-body interactions connecting two different molecules, while a classical transverse E field acts as a spectator at short distance; we will call this Hamiltonian no. I. On the other hand, intermolecular interactions can also be described as effects that are mediated exclusively through a classical one-body Ε field without any quantum effects at all (assuming we ignore electronic exchange); we will call this Hamiltonian no. II. Moreover, one can also mix these two different Hamiltonians into a third, hybrid Hamiltonian, which preserves quantum electron-electron correlations for lower excitations but describes higher excitations in a mean-field way. To investigate which semiclassical scheme is most reliable for practical use, here we study the real-time dynamics of a minimalistic many-site model—a pair of identical two-level systems (TLSs)—undergoing either resonance energy transfer (RET) or collectively driven dynamics. While both approaches (no. 1 and no. 2) perform reasonably well when there is no strong external excitation, we find that no single approach is perfect for all conditions (and all methods fail when a strong external field is applied). Each method has its own distinct problems: Hamiltonian no. I performs best for RET but behaves in a complicated manner for driven dynamics; Hamiltonian no. II is always stable, but obviously fails for RET at short distances. One key finding is that, for externally driven dynamics, a full configuration-interaction description of Hamiltonian no. I strongly overestimates the long-time electronic energy, highlighting the not obvious fact that, if one plans to merge quantum molecules with classical light, a full, exact treatment of electron-electron correlations can actually lead to worse results than a simple mean-field electronic structure treatment. Future work will need to investigate (i) how these algorithms behave in the context of more than a pair of TLSs and (ii) whether or not these algorithms can be improved in general by including crucial aspects of spontaneous emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Facile Fabrication of a Multifunctional Metal–Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules

To probe the efficient strategy for preparing a multifunctional sensing material, the facile synthesis strategies and successful examples are urgently required. Through the utilization of a hexadentate ligand derived from cyclotriphosphazene, which displays spiral configurations and multiple connection modes, a novel metal–organic framework (MOF) was constructed via one-step synthesis from low-cost raw materials. The presence of multiple interaction sites decorating the helical channels of the reported MOF gives rise to exclusive solvochromic-sensing behavior for small ketone molecules such as acetone, acetophenone, and 2,5-diketohexane. Additionally, the helical structure of a manganese-carboxylate chain allows for the pore volume not only be available for the adsorption of large organic molecules but also enables the enantiopure selective separation of 1-phenylethanol (ee 35.99 %). Furthermore, the structural analysis of the acetophenone-encapsulated sample allowed the solvochromic mechanism to be elucidated, which should be ascribed to the strong hydrogen-bonding interaction between the guest molecules and specific sites on a host matrix. The experimental results have not only clearly manifested the vital role of starting materials of MOFs, including the connection modes and spatial configuration, but also have provided very valuable insight for the future assembly of novel multifunctional sensing materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Probing spin and lifetime correlations in entangled hyperon-antihyperon pairs

Quantum entanglement has now been demonstrated in several hadronic systems, revealing that non-classical spin correlations survive even through the strong-interaction hadronization process. To date, however, all studies have focused exclusively on angular observables, leaving the possibility untouched that quantum coherence might also influence the decay times of entangled partners. In this work we propose data-driven tests of spin-lifetime and lifetime-lifetime correlations for $Λ-\bar{Λ}$ pairs produced in high-energy collisions. By examining the opening-angle distribution in slices of $Δt$, constructing a pair-wise spin-lifetime correlator, and testing a simple lifetime-lifetime covariance, we search for deviations from independent exponential decay that align with known spin correlations. Observation of nonzero lifetime correlations would compel a reassessment of how entanglement manifests in decaying systems, revealing hitherto unexplored temporal coherence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Azimuthal Correlations within Exclusive Dijets with Large Momentum Transfer in Photon-Lead Collisions

The structure of nucleons is multidimensional and depends on the transverse momenta, spatial geometry, and polarization of the constituent partons. Such a structure can be studied using high-energy photons produced in ultraperipheral heavy-ion collisions. The first measurement of the azimuthal angular correlations of exclusively produced events with two jets in photon-lead interactions at large momentum transfer is presented, a process that is considered to be sensitive to the underlying nuclear gluon polarization. This study uses a data sample of ultraperipheral lead-lead collisions at s NN = 5.02 TeV , corresponding to an integrated luminosity of 0.38 nb - 1 , collected with the CMS experiment at the LHC. The measured second harmonic of the correlation between the sum and difference of the two jet transverse momentum vectors is found to be positive, and rising, as the dijet transverse momentum increases. A well-tuned model that has been successful at describing a wide range of proton scattering data from the HERA experiments fails to describe the observed correlations, suggesting the presence of gluon polarization effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Photodynamic melting of phase-reversed charge stripes and enhanced condensation

The interplay between charge stripes and pairing has long been a subject of scrutiny in a broad class of unconventional superconductors, as in some cases it is unclear whether this interplay benefits the ensuing superfluidity. Experiments that explore the out-of-equilibrium dynamics of these systems aim to tip the balance toward one phase or the other by selectively coupling to relevant modes. Leveraging the fact that competition between stripes and pairing is not exclusive to fermionic systems, we explore the photoirradiation dynamics of interacting hardcore bosons in which density-wave phase-reversal melting leads to enhanced phase-coherent transport response, as quantified by the dynamic amplification of both the zero-momentum occupancy and the condensate fraction, as well as finite out-of-equilibrium charge stiffness and superfluid weight, for a given system size. Finally, our results, obtained using unbiased methods for an interacting system on a ladder geometry, demonstrate how one can engineer time-dependent perturbations to release suppressed orders, potentially providing insight into the underlying mechanism in related experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1999

Effective Forces Between Colloidal Particles

Colloidal suspensions have proven to be excellent model systems for the study of condensed matter and its phase behavior. Many of the properties of colloidal suspensions can be investigated with a systematic variation of the characteristics of the systems and, in addition, the energy, length and time scales associated with them allow for experimental probing of otherwise inaccessible regimes. The latter property also makes colloidal systems vulnerable to external influences such as gravity. Experiments performed in micro-ravity by Chaikin and Russell have been invaluable in extracting the true behavior of the systems without an external field. Weitz and Pusey intend to use mixtures of colloidal particles with additives such as polymers to induce aggregation and form weak, tenuous, highly disordered fractal structures that would be stable in the absence of gravitational forces. When dispersed in a polarizable medium, colloidal particles can ionize, emitting counterions into the solution. The standard interaction potential in these charged colloidal suspensions was first obtained by Derjaguin, Landau, Verwey and Overbeek. The DLVO potential is obtained in the mean-field linearized Poisson-Boltzmann approximation and thus has limited applicability. For more precise calculations, we have used ab initio density functional theory. In our model, colloidal particles are charged hard spheres, the counterions are described by a continuum density field and the solvent is treated as a homogeneous medium with a specified dielectric constant. We calculate the effective forces between charged colloidal particles by integrating over the solvent and counterion degrees of freedom, taking into account the direct interactions between the particles as well as particle-counterion, counterion-counterion Coulomb, counterion entropic and correlation contributions. We obtain the effective interaction potential between charged colloidal particles in different configurations. We evaluate two- and three-body forces in the bulk as well as study the influence of soft walls. We qualitatively explain the effects of the walls on the forces and demonstrate that many-body effects are negligible in our system. With adjustments in the parameters, the DLVO pair-potential can describe the results quantitatively. Besides electrostatic interactions, entropic depletion effects that arise from (hard-core) exclusion play an important role in determining the behavior of multi-component colloidal suspensions. A standard theory for depletion forces is due to Asakura and Oosawa and is based on the ideal gas approximation. To go beyond this approximation, we have studied entropic forces in molecular dynamics simulations of systems of hard spheres (the effects of the solvent have been ignored). The effective depletion forces for these systems can be found either from equilibrium distribution functions or from direct momentum transfer calculations. Our results obtained by either method show qualitative differences from the Asakura-Oosawa forces, indicating a longer range, higher value at contact and most importantly a more complicated structure, comprising of several maxima and minima. Our calculations include the determination of effective forces between two spheres, a hard sphere and a wall, and the behavior of a hard sphere near a step-edge and a corner. We also demonstrate that such entropic forces do not necessarily satisfy pairwise additivity.

Tehver, Riina↗

DOE OSTI2021

Nuclear Transparency from Quasi-elastic ¹²C(e, e'p) scattering reaction up to Q2 = 14.2 (GeV/c)2 in Hall C at Jefferson Lab

Color Transparency (CT) is a unique prediction of Quantum Chromodynamics (QCD) where the final (and/or initial) state interactions of hadrons with the nuclear medium are suppressed for exclusive processes at high momentum transfers. While this phenomenon has been observed for mesons, there has never been a conclusive observation for baryons. A clear signal of CT for baryons would be the first evidence of baryons fluctuating to a small size in the nucleus, and the onset would show the transition from nucleon-meson picture to quark-gluon degrees of freedom. The experiment E1206107, searching for the onset of CT in protons was completed in Hall C at Jefferson Laboratory (JLab) using the upgraded 12 GeV e- beam. It used the High Momentum Spectrometer (HMS) and the new Super High Momentum spectrometer (SHMS) in coincidence to measure the e- + ¹²C ? e-' + p + X reaction in quasi-elastic kinematics. Data were collected on a ¹²C target over the range of Q2 = 8 - 14.3 (GeV/c)2, covering the region where a previous p + A ? p' + p + X experiment at Brookhaven National Laboratory (BNL) had observed an enhancement. Proton Transparency (PT) was extracted from these data. A rise in the PT as a function of Q2 (defined as the square of the negative of the 4-momentum transfer by the scattered electron) is predicted to be a signature of the onset of CT. Our data showed no significant increase and consistent with the traditional nuclear physics calculation. This dissertation discusses the theory and implementation of the CT experiment, summarizes the data analysis and presents results on hydrogen normalization and nuclear transparency.

Bhetuwal, Deepak↗

DOE OSTI2024

Bacterial synergies amplify nitrogenase activity in diverse systems

Endophytes are microbes living within plant tissue, with some having the capacity to fix atmospheric nitrogen in both a free-living state and within their plant host. They are part of a diverse microbial community whose interactions sometimes result in a more productive symbiosis with the host plant. Here, we report the co-isolation of diazotrophic endophytes with synergistic partners sourced from two separate nutrient-limited sites. In the presence of these synergistic strains, the nitrogen-fixing activity of the diazotroph is amplified. One such partnership was co-isolated from extracts of plants from a nutrient-limited Hawaiian lava field and another from the roots of Populus trees on a nutrient-limited gravel bar in the Pacific Northwest. The synergistic strains were capable of increasing the nitrogenase activity of different diazotrophic species from other environments, perhaps indicating that these endophytic microbial interactions are common to environments where nutrients are particularly limited. Multiple overlapping mechanisms seem to be involved in this interaction. Though synergistic strains are likely capable of protecting nitrogenase from oxygen, another mechanism seems evident in both environments. The synergies do not depend exclusively on physical contact, indicating a secreted compound may be involved. This work offers insights into beneficial microbial interactions, providing potential avenues for optimizing inocula for use in agriculture.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

The emergent photophysics and photochemistry of molecular polaritons: a theoretical and computational investigation (Final Technical Report)

When molecules are placed between closely spaced mirrors, they interact strongly with the photons that are trapped between them, generating new quantum states which are no longer exclusively material nor photonic alone, but rather, coherent superpositions of both. These hybrid states are known as molecular polaritons, given that they arise from the strong interaction between the electric field of light and the electrical polarization of the molecules. Recently, experimental advances in nano‐ and microfabrication of molecular polariton architectures have successfully demonstrated their feasibility to control the rate and outcome of a certain class of chemical reactions in condensed phases. Importantly, these reactions proceed in strongly dissipative environments such as liquid solvents and lossy mirrors that allow for photons to escape from their confinement. The purpose of this research is to formulate quantum mechanical theories and computational tools that can elucidate the origin of these intriguing phenomena and simultaneously predict capabilities that this new generation of molecular materials affords. Attention is placed on harnessing polaritons to carry out photophysics and photochemistry that challenge currently existing paradigms, such as the optimization of energy conversion processes in organic solar cell or light‐emitting devices, or unconventional phenomena such as long‐range excitation energy transfer, remote control of chemical reactions, and a new quantum mechanical regime of chemical reactivity due to wavefunction overlaps amongst a large number of molecular polaritons (Bose condensation). This research explores a frontier of Chemistry and Physics where electrons, vibrations, and photons interact strongly with each other to generate emergent behavior that can be creatively exploited to address contemporary challenges in Basic Energy Sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗