Temporal Evolution Research Articles

Time-Resolved Ion Mobility Mass Spectrometry to Solve Conformational Changes in a Cryptochrome.

Many biological mechanisms rely on the precise control of conformational changes in proteins. Understanding such dynamic processes requires methods for determining structures and their temporal evolution. In this study, we introduce a novel approach to time-resolved ion mobility mass spectrometry. We validated the method on a simple photoreceptor model and applied it to a more complex system, the animal-like cryptochrome from Chlamydomonas reinhardtii (CraCRY), to determine the role of specific amino acids affecting the conformational dynamics as reaction to blue light activation. In our setup, using a high-power LED mounted in the source region of an ion mobility mass spectrometer, we allow a time-resolved evaluation of mass and ion mobility spectra. Cryptochromes like CraCRY are a widespread type of blue light photoreceptors and mediate various light-triggered biological functions upon excitation of their inbuilt flavin chromophore. Another hallmark of cryptochromes is their flexible carboxy-terminal extension (CTE), whose structure and function as well as the details of its interaction with the photolyase homology region are not yet fully understood and differ among different cryptochromes types. Here, we addressed the highly conserved C-terminal domain of CraCRY, to study the effects of single mutations on the structural transition of the C-terminal helix α22 and the attached CTE upon lit-state formation. We show that D321, the putative proton acceptor of the terminal proton-coupled electron transfer event from Y373, is essential for triggering the large-scale conformational changes of helix α22 and the CTE in the lit state, while D323 influences the timing.

Spatial genomic, biochemical and cellular mechanisms underlying meningioma heterogeneity and evolution.

Intratumor heterogeneity underlies cancer evolution and treatment resistance, but targetable mechanisms driving intratumor heterogeneity are poorly understood. Meningiomas are the most common primary intracranial tumors and are resistant to all medical therapies, and high-grade meningiomas have significant intratumor heterogeneity. Here we use spatial approaches to identify genomic, biochemical and cellular mechanisms linking intratumor heterogeneity to the molecular, temporal and spatial evolution of high-grade meningiomas. We show that divergent intratumor gene and protein expression programs distinguish high-grade meningiomas that are otherwise grouped together by current classification systems. Analyses of matched pairs of primary and recurrent meningiomas reveal spatial expansion of subclonal copy number variants associated with treatment resistance. Multiplexed sequential immunofluorescence and deconvolution of meningioma spatial transcriptomes using cell types from single-cell RNA sequencing show decreased immune infiltration, decreased MAPK signaling, increased PI3K-AKT signaling and increased cell proliferation, which are associated with meningioma recurrence. To translate these findings to preclinical models, we use CRISPR interference and lineage tracing approaches to identify combination therapies that target intratumor heterogeneity in meningioma cell co-cultures.

Ultrafast Carrier Relaxation Dynamics in a Nodal-Line Semimetal PtSn4.

Topological Dirac nodal-line semimetals host topologically nontrivial electronic structure with nodal-line crossings around the Fermi level, which could affect the photocarrier dynamics and lead to novel relaxation mechanisms. Herein, by using time- and angle-resolved photoemission spectroscopy, we reveal the previously inaccessible linear dispersions of the bulk conduction bands above the Fermi level in a Dirac nodal-line semimetal PtSn4, as well as the momentum and temporal evolution of the gapless nodal lines. A surprisingly ultrafast relaxation dynamics within a few hundred femtoseconds is revealed for photoexcited carriers in the nodal line. Theoretical calculations suggest that such ultrafast carrier relaxation is attributed to the multichannel scatterings among the complex metallic bands of PtSn4 via electron-phonon coupling. In addition, a unique dynamic relaxation mechanism contributed by the highly anisotropic Dirac nodal-line electronic structure is also identified. Our work provides a comprehensive understanding of the ultrafast carrier dynamics in a Dirac nodal-line semimetal.

Radiation-induced defects in the InGaN/GaN superlattice structure

With the molecular dynamics method, this paper investigates radiation-induced defects in the In0.16Ga0.84N/GaN superlattice structure (SLS) and the In0.04Ga0.96N/GaN SLS. In the temporal evolution of cascades, most of vacancies recombine with interstitials. The Monte Carlo simulations about the proportions of PKAs induced by 3 MeV protons were also considered in this work for calculating the weighted averages of surviving defects. For the In0.16Ga0.84N/GaN SLS irradiated by protons, around 82.6 percent of surviving vacancies are Ga vacancies while around 88.9 percent of surviving interstitials are Ga interstitials. For the In0.04Ga0.96N/GaN SLS irradiated by protons, around 87.3 percent of surviving vacancies are Ga vacancies while around 88.6 percent of surviving interstitials are Ga interstitials. N vacancies, N interstitials, and In vacancies also exist in irradiated InGaN/GaN SLS. Details about different types of defects are presented in this paper, which helps explain the microscopic mechanism of irradiated InGaN/GaN SLS. Since different types of defects have different influences on electronic and optical properties, simulations about the proportions of various defects in irradiated InGaN/GaN SLS help experimentalists find the effective factors of radiation-related changes in electronic and optical properties.

Zuranolone Concentrations in the Breast Milk of Healthy, Lactating Individuals: Results From a Phase 1 Open-Label Study.

Zuranolone is a positive allosteric modulator of both synaptic and extrasynaptic γ-aminobutyric acid type A receptors and a neuroactive steroid approved as an oral, once-daily, 14-day treatment course for adults with postpartum depression in the United States. This study assessed zuranolone transfer into breast milk. Healthy, nonpregnant, lactating adult female participants received once-daily 30 mg zuranolone from day (D)1 through D5 in this phase 1 open-label study. The relative infant dose (RID; weight-adjusted proportion of the maternal dose in breast milk over 24 hours) for 30 mg zuranolone was assessed at D5. An RID for 50 mg zuranolone was estimated using a simulation approach across a range of infant ages and weights. Of 15 enrolled participants (mean age, 30.1 years), 14 completed the study. The mean RID for 30 mg zuranolone at D5 was 0.357%; the mean steady-state milk volume over D3 to D5 decreased from baseline by 8.3%. Overall unbound zuranolone in plasma was low (≤0.49%). Plasma concentrations peaked at D5 before decreasing in a biexponential manner. There was strong concordance between the temporal evolution of zuranolone concentrations in plasma and breast milk. The estimated mean RID for 50 mg zuranolone based on a milk intake of 200 mL/kg per day was 0.984%. All treatment-emergent adverse events reported by participants were mild, the most common being dizziness (n = 3). Zuranolone transfer into the breast milk of healthy, nonpregnant, lactating adult female participants was low; the estimated RID for 50 mg zuranolone was <1%, well below the <10% threshold generally considered compatible with breastfeeding.

Quantum revivals in HgTe/CdTe quantum wells and topological phase transitions

The time evolution of a wave packet is a tool to detect topological phase transitions in two-dimensional Dirac materials, such as graphene and silicene. Here we extend the analysis to HgTe/CdTe quantum wells and study the evolution of their electron current wave packet, using 2D effective Dirac Hamiltonians and different layer thicknesses. We show that the two different periodicities that appear in this temporal evolution reach a minimum near the critical thickness, where the system goes from normal to inverted regime. Moreover, the maximum of the electron current amplitude changes with the layer thickness, identifying that current maxima reach their higher value at the critical thickness. Thus, we can characterize the topological phase transitions in terms of the periodicity and amplitude of the electron currents.

Enhancing selective production of atomic oxygen through nanosecond pulse-burst driven mode in a He/O2 dielectric barrier discharge

In this study, the temporal evolution of O atoms in a nanosecond burst-pulsed dielectric barrier discharge (DBD) is measured by two-photon absorption laser-induced fluorescence spectroscopy. The experiment is conducted at burst conditions of 50, 100, and 200 kHz pulse frequency, 10 Hz burst frequency, and 20–400 pulses in 0.1%–2% O2 + He mixtures. The accumulation effect of O atoms in the burst mode is observed and the density gradually saturates at around 100 pulses. Increasing the pulse frequency effectively enhances the O saturation density. The 0-dimensional kinetic model reveals that the saturation effect is primarily balanced by the formation and loss characteristics of O atoms. Similar saturation effect is also observed in the typical continuous periodic pulse mode (one pulse each cycle), but with a saturation density about one order of magnitude lower than that in the burst case, highlighting the burst excitation mode as an effective method for enhancing the instantaneous peak production of O atoms. Further investigations into the influence of O2 proportion on the selective production of O atoms are also performed. The results suggest that a low O2 proportion (<2%) and pulse-burst driven mode for the He/O2 DBD facilitates the selective production of O atoms while competing with O3 formation.

Research on driving factors and efficiency measures of low‐carbon levels in less‐developed regions: A case of Western China

AbstractThe far‐reaching impacts of climate change have further strengthened the determination of governments around the world to pursue low‐carbon development, and low‐carbon efficiency in less developed regions has become a “shortcoming” in realizing low‐carbon aspirations. We analyze the carbon emission efficiency (CEE) and its temporal evolution in less‐developed regions in developing countries, such as Western China. The differentiation of Western China was evaluated in terms of spatial and influencing factors through the Theil index and the logarithmic mean divisia index (LMDI), and the innovative use of GDP gold content (GDPgc) to represent the absolute economic level in the Theil index. Considering the net carbon emissions (NCE) are undesirable outputs, the GDPgc is taken as the desired output. The Un‐Super‐SBM‐CRS method obtained the net carbon emission efficiency (NCEE) values. The results show that: (1) Western regions’ NCE differences can be categorized as high per capita NCE areas (more than 25 tons), medium per capita NCE areas (10–25 tons), and low per capita NCE areas (0–10 tons). (2) The per capita‐based T (Theil index) and the GDPgc are comparable and “intra‐group convergence and inter‐group differentiation” can be used to describe intra‐regional and inter‐regional NCE differences. (3) Both the level of the economy and the level of urban development are drivers of the 11 domains, and the level of the economy is driven more than the level of urban development overall. There are significant regional differences in other factors. (4) The NCEs and their evolutionary trends in each region can be divided into single‐variable and fluctuating‐variable. © 2024 Society of Chemical Industry and John Wiley &amp; Sons, Ltd.

Microscopic insights on liquid–vapor phase change phenomena of R1336mzz(Z) nanofilm through molecular dynamics simulations

The ever-growing advances in electronics pose a critical cooling challenge. Two-phase heat transfer technology, with effective heat removal and no extra energy consumption, is emerging as a potential solution for sustainable thermal management. However, questions regarding phase change mechanisms are seemingly not addressed yet due to the limitation in time and space scales. In this work, a series of molecular dynamics simulations are performed where the R1336mzz(Z) liquid film rests over a smooth copper substrate. The molecular system starts with a nanofilm thickness of 4–10 nm and then is subjected to non-equilibrium heating (350, 400, 450, and 500 K) to initiate liquid-to-vapor phase change. Depending on the impacts of film thickness and wall temperature, four distinctive phase change scenarios are identified, i.e., diffusive evaporation, pseudo-diffusive evaporation, explosive boiling, and stable explosive boiling. The characteristics of these phase change modes are explicated from the perspectives of molecular motion, vaporization rate, temperature evolution, heat flux, and interfacial resistance. The phase change mode has a strong dependence on two aspects: improving heat transfer to breakup potential barrier and slowing energy dissipation to support formation of bubble embryos. The insight may deliver better understandings of phase change mechanism and applications of liquid refrigerants.

Mid-Infrared Echoes of Ambiguous Nuclear Transients Reveal High Dust Covering Fractions: Evidence for Dusty Tori

Abstract Alongside the recent increase in discoveries of tidal disruption events (TDEs) have come an increasing number of ambiguous nuclear transients (ANTs). These ANTs are characterized by hot blackbody-like UV/optical spectral energy distributions (SEDs) and smooth photometric evolution, often with hard powerlaw-like X-ray emission. ANTs are likely exotic TDEs or smooth flares originating in active galactic nuclei (AGNs). While their emission in the UV/optical and X-ray has been relatively well-explored, their infrared (IR) emission has not been studied in detail. Here we use the NEOWISE mission and its low-cadence mapping of the entire sky to study mid-infrared dust reprocessing echoes of ANTs. We study 19 ANTs, finding significant MIR flares in 18 objects for which we can estimate an IR luminosity and temperature evolution. The dust reprocessing echoes show a wide range in IR luminosities (∼1042 − 1045 erg s−1) with blackbody temperatures largely consistent with sublimation temperature of graphite grains. Excluding the two sources possibly associated with luminous supernovae (ASASSN-15lh and ASASSN-17jz), the dust covering fractions (fc) for detected IR flares lie between 0.05 and 0.91, with a mean of fc = 0.29 for all ANTs (including limits) and fc = 0.38 ± 0.04 for detections. These covering fractions are much higher than optically-selected TDEs and similar to AGNs. We interpret the high covering fractions in ANT host galaxies as evidence for the presence of a dusty torus.

Spatial and temporal change of hydrological connectivity in the Wusuli River Basin

Study regionThe study region of this paper is the Wusuli River basin, which is comprised of nine sub-basins. The basin is located on the border between China and Russia. Study focusWe investigated the hydrological connectivity of the Wusuli River basin, an international boundary river that has received little attention. The spatial and temporal evolution of hydrological connectivity over the last 38 years was characterized using a geostatistical connectivity function combined with the remote sensing technique. In particular, some key sub-basins were identified to help strengthen China-Russian cooperation on ecological protection of the basin. New hydrological insights for the regionThe results show that the hydrological connectivity in the northwestern region of the Wusuli River basin was unstable with several surges from 1984 to 2021. Analyzed from a temporal perspective, the effective range of hydrological connectivity is expanding and connectivity is showing an overall upward trend due to increased fluctuations in rainfall. Analyzed from a spatial perspective, the connectivity of the right bank of the Wusuli River is better than that of the left bank due to the influence of topography. Stable connectivity pathways are a must for efficient hydrological connectivity within a watershed. Another finding is that the capacity of the Wusuli River basin to resist extreme rainfall is weakening.

Investigating the temporal trends of diabetes disease burden in China during 1990-2019 from a global perspective

IntroductionDiabetes poses a global public health challenge and our understanding of its temporal evolution in China relative to the rest of the world is limited. Our study aims to comprehensively examine the temporal trend of diabetes DALYs in China from a global perspective.MethodsWe analyzed data on diabetes incidence, prevalence, and mortality for individuals aged ≥20 years in China and globally from the Global Burden of Disease (GBD) 2019 study. We assessed trends in age-standardized incidence rate (ASIR) and age-standardized mortality rate (ASMR) of diabetes in China and globally by estimating annual percentage changes (EAPCs). We employed decomposition analysis to reveal factors driving the trend of diabetes DALYs in China.ResultsDuring 1990-2019, the number of diabetes patients increased by 160% from 35.14 million to 91.70 million in China. The ASIR of diabetes increased from 249 per 100,000 to 329 per 100,000 in China, which was lower than the global rate (419 per 100,000 in 2019). The EAPC of diabetes incidence was also lower in China compared to the global rate (1.02% vs. 1.57%). Consistently, the age-standardized prevalence rate of diabetes increased from 4788 per 100,000 to 8170 per 100,000 during 1990-2019 in China, which remained lower than the corresponding global rate (8827 per 100,000 in 2019). Further, the ASMR of diabetes increased from 9 per 100,000 to 15 per 100,000 during 1990-2019 in China, which was lower than the corresponding global rate (30 per 100,000 in 2019). However, EAPC of diabetes mortality in China was much higher than the global level (1.75% vs. 1.07%). Globally, the rising diabetes DALYs was predominantly attributed to population growth (55.2%) and epidemiologic changes (24.6%). In comparison, population growth (48.9%) also played an important role in the increasing diabetes DALYs in China, but aging (43.7%) was second major contributor.ConclusionOur findings show that diabetes DALYs in China followed a global increasing trend during 1990-2019. Notably, aging has a very substantial contribution to the increase in diabetes DALYs in China in addition to population growth.

Infrared temperature evolution law and thermal effect mechanism of concrete impact failure

Concrete impact failure can occur quickly and cause severe failure, which is of great significance for effective monitoring of concrete impact failure. Infrared thermal imaging technology possesses the merits of high sensitivity, noncontact, and nondestructive monitoring, rendering it extensively employed in monitoring the stability of concrete structures. However, the infrared radiation temperature (IRT) evolution law and thermal effect mechanism of concrete impact failure are not clear at present. In this study, infrared monitoring experiments were conducted on concrete impact failure and static load failure using drop hammer (DH) testing machines, pressure testing machines, and infrared thermal imagers. The infrared thermal images and the IRT change law of concrete subjected to DH impact failure were analysed. The infrared thermal effect difference and mechanism between DH impact and static load failure were compared. The results indicate that there is an infrared high-temperature point at the impact location of concrete DH impact failure, and both average infrared radiation temperature (AIRT) and maximum infrared radiation temperature (MIRT) increase suddenly. The increase in the MIRT is tens of times that of the AIRT. Compared with that of static load failure, the infrared high-temperature area of concrete DH impact failure is concentrated, while the IRT of static load failure increases overall, and the heating area is large. Moreover, the change in the IRT under DH impact failure is much greater than that under static load failure. The infrared thermal effect of concrete under DH impact failure was mainly composed of the thermoelastic effect, frictional thermal effect and tensile failure endothermic effect. The infrared data obtained for concrete impact failure should focus on the highest and lowest IRT change indicators. The highest IRT corresponds to the impact failure point, and the lowest IRT corresponds to the tensile failure position. The research results provide a new infrared thermal effect approach for monitoring the stability of concrete under impact failure.

Investigating the feasibility and potential of combining industry AMR monitoring systems: a comparison with WHO GLASS

Background Efforts to estimate the global burden of antimicrobial resistance (AMR) have highlighted gaps in existing surveillance systems. Data gathered from hospital networks globally by pharmaceutical industries to monitor antibiotic efficacy in different bacteria represent an additional source to track the temporal evolution of AMR. Here, we analysed available industry monitoring systems to assess to which extent combining them could help fill the gaps in our current understanding of AMR levels and trends. Methods We analysed six industry monitoring systems (ATLAS, GEARS, SIDERO-WT, KEYSTONE, DREAM, and SOAR) obtained from the Vivli platform and reviewed their respective isolates collection and analysis protocols. Using the R software, we designed a pipeline to harmonise and combine these into a single dataset. We assessed the reliability of resistance estimates from these sources by comparing the combined dataset to the publicly available subset of WHO GLASS for shared bacteria-antibiotic-country-year combinations. Results Combined, the industry monitoring systems cover 18 years (4 years for GLASS), 85 countries (71), 412 bacterial species (8), and 75 antibiotics (25). Although all industry systems followed a similar centralised testing approach, the criteria for isolate collection were unclear (patients selection, associated sampling periods…). For E.coli, K. pneumoniae and S. aureus, at least 65% of comparable resistance proportions were within 0.1 of the corresponding estimate in GLASS. We did not identify systemic bias towards resistance in industry systems compared to GLASS. Conclusions Combining industry monitoring systems can substantially strengthen our knowledge of global AMR burden across bacterial species and countries. High agreement values for available comparisons with GLASS suggest that data for other bacteria-antibiotic-country-year combinations only present in industry systems could complement GLASS, particularly for Priority Pathogens currently not covered. This valuable information on resistance levels could help clinicians and stakeholders prioritize testing and select appropriate antibiotics in settings with limited surveillance data.

Relationship between radar reflectivity thresholds and very low frequency/low frequency total lightning for thunderstorm identification

AbstractTo improve our knowledge of the spatio‐temporal correspondence between radar reflectivity and VLF/LF total lightning data, this paper proposes indexes to quantify the horizontal distribution and temporal evolution characteristics between radar composite reflectivity images and total lightning density map, lightning clusters and radar cells with different radar reflectivity thresholds (30, 35, 40, 45 and 50 dBZ), respectively. It is found that the number of radar grid cells with radar reflectivity over 30 dBZ is ten times the number of lightning grid cells. At the identification stage, the lightning activity regions in a radar cell account for less than 30% using thresholds of 30, 35 and 40 dBZ, respectively, and the radar cell has more than one lightning cluster, which means that the mesoscale convective systems typically have more than one draft, and drafts are only small part of the convection. The majority of the centroid deviations is less than 10 km, indicating that there are some shifts between electrically active regions and convective regions. Results suggest that VLF/LF total lightning data are consistent with radar data and total lightning data can be used individually on a smaller spatio‐temporal scale than radar data.

The shock wave evolution of the laser-induced breakdown under non-spherical symmetry using a 1064 nm nanosecond laser

In acoustics-related interdisciplinary areas, the shock wave of laser-induced breakdown has garnered significant attention. However, research on the propagation of shock waves in non-spherical symmetry is insufficient in both theoretical and experimental aspects. This paper aims to thoroughly study the evolution of underwater shock wave directivity by employing the method of shadowgraph. The shock wave front is determined by the dark fringes in the shadowgraph image and the normal propagation speed of the shock wave is calculated using Huygens principle. Subsequently, normal propagation speed is converted to pressure in different directions by employing the equation of state of the medium. It has been found that the spherical plasma produces an isotropic shock wave, whereas filamentary plasma generates a highly anisotropic one. To evaluate the anisotropic property of the shock wave, we introduce pressure directivity, which is defined as the pressure at any direction normalized by the maximum value. The temporal evolution of shock wave pressure directivity is obtained based on the shadowgraph images. In the case of filamentary plasma, there is a sudden transition of the pressure directivity in the axial from 40 ns to 165 ns, after which the pressure directivity is consistent with the hydrophone measurement. Based on the moving breakdown model of the plasma and the superposition principle, we propose a theoretical model to explain the experimental result of the pressure directivity. The outcome of our model exhibits considerable consistency with the experiment.

Simulation Study and Optimization Strategies for Vacuum Infusion of GFRP Hoses Based on Resin Time-Viscosity Variables

During the infusion process of a glass-fiber-reinforced thermosetting composite hose, the viscosity of its resin matrix undergoes temporal variations. Consequently, if the impact of resin viscosity changes over time on the internal resin fluidity is not considered during the infusion process, this may result in the incomplete impregnation of the hose, characterized by the presence of numerous voids. This phenomenon adversely affects the quality of the pipe’s curing and forming process. Therefore, based on the characteristic variations in resin viscosity, this paper considers the changes in fluidity caused by the resin’s temporal evolution within the material. We establish a finite element simulation model to calculate and analyze the overall infusion effects of resin viscosity changes during the hose infusion process. Furthermore, based on the predicted analysis, a variable parameter infusion strategy is proposed to increase resin impregnation in the hose, thereby reducing internal void content and subsequently improving the quality of material curing and forming.

Continuous psychophysics shows millisecond-scale visual processing delays are faithfully preserved in movement dynamics.

Image differences between the eyes can cause interocular discrepancies in the speed of visual processing. Millisecond-scale differences in visual processing speed can cause dramatic misperceptions of the depth and three-dimensional direction of moving objects. Here, we develop a monocular and binocular continuous target-tracking psychophysics paradigm that can quantify such tiny differences in visual processing speed. Human observers continuously tracked a target undergoing Brownian motion with a range of luminance levels in each eye. Suitable analyses recover the time course of the visuomotor response in each condition, the dependence of visual processing speed on luminance level, and the temporal evolution of processing differences between the eyes. Importantly, using a direct within-observer comparison, we show that continuous target-tracking and traditional forced-choice psychophysical methods provide estimates of interocular delays that agree on average to within a fraction of a millisecond. Thus, visual processing delays are preserved in the movement dynamics of the hand. Finally, we show analytically, and partially confirm experimentally, that differences between the temporal impulse response functions in the two eyes predict how lateral target motion causes misperceptions of motion in depth and associated tracking responses. Because continuous target tracking can accurately recover millisecond-scale differences in visual processing speed and has multiple advantages over traditional psychophysics, it should facilitate the study of temporal processing in the future.

OPERATE–H2: A tool for optimizing underground hydrogen storage

Underground hydrogen storage (UHS) is crucial in facilitating the transition to clean energy by reducing reliance on fossil fuels and ensuring a stable supply of emission-free energy. However, safe and efficient storage conditions require careful planning. While reservoir simulations could determine optimal storage conditions, exploring all possible scenarios can be computationally prohibitive and time-consuming. Reduced-order models (ROMs) can efficiently simulate reservoir performance and analyze multiple strategies with reduced computational cost, providing valuable insights for UHS decision-making. This paper introduces an innovative integrated assessment framework with a user-friendly graphical user interface (GUI), designed to optimize UHS operations. The GUI features several advanced functionalities, including (1) temporal evolution for visualizing and analyzing UHS performance over withdrawal cycles, (2) local sensitivity analysis to determine the impact of individual parameters on UHS sites while keeping other inputs constants, (3) uncertainty quantification to identify the key factors for effective decision-making via tornado plots, (4) global sensitivity analysis to comprehensively quantify the interactions between geologic and operational parameters and their effect on UHS performance, and (5) sites screening feature to identify the most prominent potential sites for UHS installations. The GUI is built based on ROMs and the PyQt5 packages in Python. With user-friendly design and advanced features, Optimization, Evaluation, and Risk-Assessment Techniques for Hydrogen Energy tool (OPERATE–H2) enables users to evaluate different UHS scenarios quickly and effectively, helping to accelerate the transition to a cleaner and more sustainable energy future.

Physics-informed neural networks for an optimal counterdiabatic quantum computation

A novel methodology that leverages physics-informed neural networks to optimize quantum circuits in systems with NQ qubits by addressing the counterdiabatic (CD) protocol is introduced. The primary purpose is to employ physics-inspired deep learning techniques for accurately modeling the time evolution of various physical observables within quantum systems. To achieve this, we integrate essential physical information into an underlying neural network to effectively tackle the problem. Specifically, the imposition of the solution to meet the principle of least action, along with the hermiticity condition on all physical observables, among others, ensuring the acquisition of appropriate CD terms based on underlying physics. This approach provides a reliable alternative to previous methodologies relying on classical numerical approximations, eliminating their inherent constraints. The proposed method offers a versatile framework for optimizing physical observables relevant to the problem, such as the scheduling function, gauge potential, temporal evolution of energy levels, among others. This methodology has been successfully applied to 2-qubit representing H2 molecule using the STO-3G basis, demonstrating the derivation of a desirable decomposition for non-adiabatic terms through a linear combination of Pauli operators. This attribute confers significant advantages for practical implementation within quantum computing algorithms.