arXiv subjects

Liton Majumdar

Publications and source records attributed to Liton Majumdar.

At least 19 recordsLinked to original sources

arXiv2026

Stellar Abundances as Probes of Rocky Exoplanet Interiors: The Mantle Composition and Mineralogy of GJ 486b

Over the past three decades, hundreds of rocky exoplanets have been discovered. Some of these show atmospheric signatures indicative of diverse chemical compositions. Interpreting these atmospheres requires a physically grounded understanding of planetary interiors, as interior composition and mineralogy govern the formation and evolution of secondary atmospheres. Rocky terrestrial exoplanets are expected to inherit the refractory composition of their host stars, providing a direct pathway to constrain their bulk composition and mineralogy. However, a large fraction of these planets orbit M-type stars, whose compositions remain poorly constrained because of limited and uncertain stellar abundance measurements. Here, we present a physically consistent framework that connects stellar abundances to the interior structure and mineralogy of rocky exoplanets by combining stellar abundance inference, devolatilization modeling to estimate bulk and mantle elemental abundances, interior structure calculations to derive pressure-temperature profiles, and thermodynamic equilibrium modeling of mantle mineralogy. We first benchmark the framework against Earth and then apply it to the super-Earth GJ 486b using chemically consistent abundances derived from ensembles of similar M-dwarf hosts. We find that GJ 486b likely hosts an iron-rich and silica-poor mantle relative to Earth while preserving the major mantle phase transitions. Sensitivity analyses show that the overall mineralogical structure is robust to variations in bulk composition and pressure-temperature profiles, with temperature primarily modulating phase proportions near key transitions. Finally, our results show that stellar-abundance inference combined with devolatilization models constrains the interior composition of rocky exoplanets and provides a foundation for linking planetary interiors to atmospheric characterization.

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arXiv2026

Demographics of planet-forming disks with the SKAO

Understanding how solid material in planet-forming disks evolves from micron-sized dust to planetary cores is a central challenge in modern astrophysics. This study has advanced dramatically in the past decade, largely driven by ALMA and high-contrast imaging facilities. However, major uncertainties remain regarding the presence, evolution, and role of centimeter-sized grains (the pebbles) in planet formation. The SKAO will fill this gap by enabling the first large-scale, high-resolution survey of disk emission at centimeter wavelengths. This chapter presents the scientific rationale and observational strategies to detect and characterize pebbles in the planet-forming disks of nearby star-forming regions. By resolving their spatial distribution, spectral properties, and evolutionary trends, SKA will offer essential constraints on dust growth and disk dynamics. This work provides observational strategies, target selection, and predictions on the detectability of hundreds of nearby disks. The chapter also explores SKA's potential to uncover the actual dust mass in disks, protoplanets and their circumplanetary disks, and other aspects of the planet formation. Together, these capabilities will establish SKAO as a cornerstone facility for planet formation science in the coming decade.

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arXiv2026

Chemical Complexity in the Early Stages of Star Formation in the SKAO Era

About 350 molecules have been identified in the interstellar medium (ISM), including complex molecules relevant to prebiotic chemistry. A remarkable level of molecular diversity has been observed from the earliest stages of star formation, providing the initial chemical inventory inherited by planetary systems. Radio observations have played a pivotal role in these discoveries, starting with the identification of the first polyatomic molecule, $\text{NH}_3$ (Cheung et al. 1968). (Sub-)millimeter observations have revealed complex organic molecules of prebiotic relevance, including formamide ($\text{NH}_2\text{CHO}$), glycolaldehyde ($\text{CH}_2\text{OHCHO}$), and even urea ($(\text{NH}_2)_2\text{CO}$), and hydroxylamine ($\text{NH}_2\text{OH}$), which are possible precursors of RNA nucleotides (Ceccarelli et al. 2023; Jiménez-Serra et al. 2020). However, in dense protostellar regions, dust opacity hampers the detection of molecular emission. Additionally, large molecules and those containing heavy atoms, which have rotational transitions at lower frequencies, often remain inaccessible to current instruments. The Square Kilometre Array Observatory (SKAO) will provide an unprecedented combination of sensitivity and angular resolution at radio wavelengths. This will allow for the detection of prebiotic species and offer new insights into the chemical pathways that shape emerging planetary systems (Jiménez-Serra et al. 2022). This chapter details the scientific questions and advancements that the SKAO, and more specifically, SKA-Mid equipped with the Band 5 receivers, will pursue in the field of astrochemistry, focusing on the chemical complexity in both high-mass and solar-type star-forming regions.

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arXiv2026

Unveiling Complex Chemistry in Planet-forming Disks with the SKAO

The chemical composition of planets is inherited from that of the natal protoplanetary disk at the time of planet formation. In recent years, we have made huge progress in characterizing disk chemistry. (Sub-)millimeter interferometers, such as ALMA, allowed us to detect emission lines from simple to complex organic molecules and to probe their radial and vertical distribution in disks. On the other hand, JWST has started to unveil the composition of disk ices, and line emission from the innermost disk regions. The advent of SKA will open new domains in the field, by observing emission lines from heavier molecules including heavy carbon chains and rings, and prebiotic molecules with peak emission in the cm range. Moreover, SKA will probe molecular emission from regions which are obscured by dust opacity at mm wavelengths, hence from the disk midplane, and often from the inner 30 au region. These observations will constrain the initial conditions for disk evolution and planet formation, allowing us to predict the chemical composition of the forming planets and their atmospheres. Comparison with forthcoming results on exoplanet atmospheres and on the chemistry of pristine bodies in the Solar System will provide new hints on the origin and evolution of planetary systems including our own.

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arXiv2026

Probing the Atmospheres of Young Long-Period Sub-Neptune Progenitors with ELT/ANDES

High-resolution cross-correlation spectroscopy (HRCCS) has become a powerful ground-based technique for detecting and characterizing exoplanet atmospheres. While highly successful for ultra-hot and hot Jupiters, next-generation facilities such as ELT/ANDES will observe smaller and longer-period planets, including young sub-Neptunes and their progenitors. We investigate whether HRCCS with ELT/ANDES can robustly recover orbital parameters and atmospheric signals for the long-period sub-Neptunes V1298 Tau b and TOI-451 c. In long-period systems, the slow Doppler drift during a single night limits separation between planetary and telluric signals, increasing the risk of signal loss during detrending. We therefore quantify the impact of including out-of-transit exposures on signal recovery and parameter estimation. We simulate YJH-band transmission observations using the \texttt{Ratri} pipeline and analyze them with the HRCCS detrending and cross-correlation framework \texttt{Upamana}. For V1298 Tau b, injected atmospheric models are consistent with HST, Spitzer, and JWST constraints. For TOI-451 c, we explore sub-solar to super-solar C/O ratios to test compositional sensitivity. Incorporating out-of-transit exposures significantly improves detectability, provided detrending effects are consistently propagated to the template spectra prior to cross-correlation. Without this step, orbital parameters can deviate from injected values and detection significance decreases. For V1298 Tau b, $>4σ$ detections of H$_2$O, H$_2$S, and CO are achievable at $\lesssim$10 hours (minimum 2 nights, cloud-free scenario). For TOI-451 c, distinguishing sub-solar and solar from super-solar C/O requires $\sim$17 hours (minimum 4 nights). HRCCS with ELT/ANDES will therefore be a key tool for atmospheric characterization of young, long-period sub-Neptunes in the ELT era.

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arXiv2026

Jets and Outflows in Young Stellar Objects with the SKAO

Jets and outflows are ubiquitous phenomena associated with the formation of young stellar objects (YSOs). They play a crucial role in removing angular momentum from the accreting system and in regulating star-formation efficiency. Theoretical studies and observations with ALMA and VLA have shown that jets and winds may have a crucial role in promoting dust growth in the envelope-disc system and in shaping the physical and chemical properties of the surrounding environment. Despite these significant advances, many fundamental questions remain unanswered regarding the acceleration, collimation, and chemical impact of jets and outflows from YSOs. The SKA-project will overcome the limitations of current mm/cm-facilities by enabling high-angular resolution and high-sensitivity cm-observations, crucial for probing jets/outflows near YSOs. Radio recombination lines, combined with proper motions, offer a unique opportunity to study the 3D-kinematics of jets. Non-thermal linearly polarised synchrotron emission will allow measuring magnetic field strength and morphology at unprecedented scales of a few au. Observations of dust emission in outflow cavities will allow studying how dust grows and is eventually transported from the disc to the envelope and back. Finally, the SKA-project will allow exploring the dust composition and chemical enrichment in shocks, where sputtering/shattering of grains cause the release of their mantles and refractory cores in the gas-phase. Complementary to ALMA's detection of simple and complex organic molecules, the SKAO will probe, for the first time, long carbon chains/rings, several Cl-, Al-, Mg-, and other metal-bearing species (missed by current sub-mm facilities).

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arXiv2026

A Comprehensive Sulfur Chemistry Network Including Excited S(1D) and SO(1Δ) for the XODIAC Photochemical Model: Accounting for Missing Sulfur Processes in Venus and Exo-Venus Analogs

Sulfur chemistry plays a central role in controlling the atmospheric structure, cloud formation, and composition of Venus and Venus-like exoplanets. However, key reactions involving ground- and excited-state sulfur species remain poorly constrained, and existing photochemical models often rely on incomplete or uncertain kinetic data under high-temperature, CO2-rich conditions. In this work, we compute kinetic parameters for reactions of ground-state S(3P) and excited-state S(1D) with CO2 under Venus-like conditions, forming SO(3Sigma), SO(1Delta), and CO. We characterize the underlying potential energy surfaces, identify intermediate complexes, and derive temperature-dependent rate coefficients using a master-equation framework based on the chemically significant eigenvalue method. We also provide NASA 7-term polynomial coefficients for S and SO in both ground and excited states to enable consistent incorporation into photochemical models. Incorporating these reactions into the one-dimensional photochemical model XODIAC for Venus produces only minor effects above 60 km due to competing pathways. While the model reproduces most observed sulfur species, discrepancies remain for S3 and S4. Introducing a 1 ppm near-surface atomic sulfur source, representing unresolved deep-atmosphere or surface processes, enhances S3 and S4 abundances by 1-2 orders of magnitude and improves agreement with observations. For exo-Venus analogs, the updated chemistry produces modest changes under isothermal conditions. In contrast, in strongly irradiated atmospheres with a high-altitude isotherm and a near-surface sulfur source, it leads to pronounced changes in most sulfur-bearing species, along with significant enhancements in S(1D) and SO(1Delta). These results highlight missing sulfur pathways, including excited states and deep sources, and potential implications for shaping Venus and exo-Venus atmospheres.

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arXiv2026

An 18 - 25 GHz spectroscopic survey of southern hemisphere dense cores

We extended the radio K-band spectroscopic survey for organics in southern hemisphere dense cores by observing seven sources using NASA's Deep Space Network 70-m antenna in Canberra, Australia, over the frequency range of 18 to 25 GHz. Molecular column densities of NH$_3$, $c$-C$_3$H$_2$, HC$_3$N, HC$_5$N, CCS, C$_3$S, and $c$-C$_3$HD were derived for each source assuming LTE. The resulting column density ratios were compared with predictions of a state-of-the art astrochemical model to constrain the C/O ratio and chemical age of each source. Most cores have similar C/O ratios of $0.5 - 0.7$, much different from the best studied TMC-1 dense core characterized by a high C/O ratio of $\sim 1.4$. The chemical ages of the cores are also similar and fall between 0.6 and 5~Myr. The less dense cores tend to have the oldest chemical ages, as might be expected given that chemical timescales scale with density. Our results showcase the synergistic approach of combining radio observations using the DSS-43 antenna with state-of-the-art astrochemical models to study the chemical composition of southern hemisphere dense cores, enabling constraints on their C/O ratios and chemical ages, which remain largely unexplored.

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arXiv2025

Detectability of Atmospheric Biosignatures in Earth Analogs with Varying Surface Boundary Conditions: Prospects for Characterization in the UV, Visible, Near-Infrared, and Mid-Infrared Regions

The search for potentially habitable exoplanets centers on detecting biosignature molecules in Earth-like atmospheres, which makes it essential to understand their detectability under biologically and geologically influenced conditions. In this study, we model the reflection and thermal emission spectra of such atmospheres across the UV/VIS/NIR and mid-IR regions and simulate their detectability with future mission concepts such as the Habitable Worlds Observatory (HWO) and the Large Interferometer for Exoplanets (LIFE). We employ Numerical Weather Prediction (NWP) model data, based on Earth's atmosphere, to derive temperature pressure profiles and couple them with a 1D photochemical model to assess the detectability of these molecules in Earth analogs located 10 parsecs away. We investigate the dominant reaction pathways and their contributions to the atmospheric composition of an Earth analog, with a focus on how they shape the resulting molecular signatures. We also examine the role of surface boundary conditions, which indirectly trace the effects of biological and geological processes, on the detectability of these molecules using HWO- and LIFE-type mission concepts. Our findings indicate that O3 is detectable with both mission concepts, while H2O requires specific surface humidity levels for detection with LIFE and shows only potential detectability with HWO. CO2 is detectable with LIFE. Both N2O and CH4 require continuous surface outgassing for potential detection with LIFE, and CH4 further requires low surface humidity to prevent masking by water features. Our work highlights the feasibility of characterizing the atmospheres of Earth analogs in the UV/VIS/NIR and mid-IR domains using HWO- and LIFE-type mission concepts and offers guidance for the development of future missions operating in these spectral regions.

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arXiv2025

A Fast, Parallelized, GPU-Accelerated Photochemical Model, XODIAC, with Built-in Equilibrium Chemistry and Multiple Chemical Networks for Exoplanetary Atmospheres

The launch of the James Webb Space Telescope (JWST) has delivered high-quality atmospheric observations and expanded the known chemical inventory of exoplanetary atmospheres, opening new avenues for atmospheric chemistry modeling to interpret these data. Here, we present XODIAC, a fast, GPU-accelerated, one-dimensional photochemical model with a built-in equilibrium chemistry solver, an updated thermochemical database, and three chemical reaction networks. This framework enables comparative atmospheric chemistry studies, including the newly developed XODIAC-2025 network, a state-of-the-art C-H-O-N-P-S-Metals network, linking 594 species through 7,720 reactions. The other two are existing, publicly available C-H-O-N-S and C-H-O-N-S-Metals networks, from the established photochemical models VULCAN and ARGO, respectively, which are commonly used in the community. The XODIAC model has been rigorously benchmarked on the well-studied hot Jupiter HD 189733 b, with results compared against these two models. Benchmarking shows excellent agreement and demonstrates that, when the same chemical network and initial conditions are used, the numerical scheme for solving atmospheric chemistry does not significantly affect the results. We also revisited the atmospheric chemistry of HD 189733 b and performed a comparative analysis across the three networks. Sulfur chemistry shows the least variation across networks, carbon chemistry shows slightly more, and phosphorus chemistry varies the most, primarily due to the introduction of unique PHO and PN pathways comprising 390 reactions in the XODIAC-2025 network. These findings highlight XODIAC's capability to advance exoplanetary atmospheric chemistry and provide a robust framework for comparative exoplanetology.

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arXiv2025

Quantifying the differences in transmission and emission spectra for hot irradiated gaseous exoplanet atmospheres: A comparison of 1D and 3D modeling using JWST

Modeling the atmospheres of exoplanets is fundamental to understanding their atmospheric physics and chemical processes. While one-dimensional (1D) atmospheric models with 1D radiative transfer (RT) have been widely used, advances in three-dimensional (3D) general circulation models (GCMs) and 3D RT methods now allow quantitative comparisons of these approaches. With the precision and sensitivity of JWST, such differences can be observationally tested. This study investigates the spectral variations produced by 1D and 3D models and estimates the JWST observing time or number of transits needed to distinguish them. Using HD 189733b as a case study, three sets of simulations were performed: 1D atmospheric models with 1D RT and 3D GCM models coupled with both 1D and 3D RT. An inherent limitation of our study is that the temperature-pressure (T-P) profiles derived from the 3D GCM extend only to the high-pressure regions. The simulations incorporated both equilibrium and disequilibrium chemistry. Significant spectral discrepancies were found, with 3D models generally showing weaker features. Using a JWST noise simulator, the signal-to-noise ratio (SNR) for detecting these differences was calculated. For transmission spectra, the SNR ranged from 2.04-7.68 (equilibrium) and 1.66-7.04 (disequilibrium), while for emission spectra it ranged from 5.90-34.52 (equilibrium) and 7.11-36.93 (disequilibrium). To test the limitations of the 3D GCM, we extended the atmosphere to lower pressures using an isothermal T-P profile and found wavelength-dependent variations in both the spectra and the SNR. These results show that JWST can distinguish 1D from 3D model spectra for major molecular features, underscoring the importance of 3D modeling in interpreting exoplanetary atmospheres.

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arXiv2025

Unveiling the Chemical Complexity and C/O Ratio of the HD 163296 Protoplanetary Disk: Constraints from Multi-line ALMA Observations of Organics, Nitriles, Sulfur-bearing, and Deuterated Molecules

The physical and chemical conditions within a protoplanetary disk play a crucial role in determining its chemical composition, which is subsequently inherited by any forming planets. To probe these conditions, high-resolution molecular line observations, coupled with modelling, are essential. In this study, we investigate the chemistry of the nearby, massive, and relatively line-rich protoplanetary disk around HD 163296 using high-resolution observations from ALMA across Bands 3, 4, 6, and 7. We constrain the disk-averaged and radial distributions of column density and excitation temperature for the detected molecules using the new retrieval code DRive. The disk chemistry is modelled using the astrochemical code PEGASIS, with variations in the initial elemental C/O ratio. Our modelling, informed by molecular observations of HCO+, DCO+, HCN, DCN, CS, HC3N, H2CO, CH3OH, HNCO, and NH2CHO, allows us to place strong constraints on the C/O ratio, with a best-fit value of 1.1 that is broadly consistent with previous estimates. We present the highest-resolution DCO+ emission map of this disk to date, revealing triple-ringed chemical substructures that closely align with the dust continuum rings. Additionally, our results provide the first and most stringent upper limits on the column densities of NH2CHO and HNCO in this protoplanetary disk, measured at < 7e11 cm-2 and < 1e11 cm-2, respectively. Our chemical models suggest that NH2CHO and HNCO predominantly form on grain surfaces within the disk. However, physico-chemical desorption mechanisms are inefficient at releasing these species into detectable gas-phase abundances, yet they remain promising targets for future ALMA observations.

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arXiv2025

A Next-Generation Exoplanet Atmospheric Retrieval Framework NEXOTRANS for Emission Spectroscopy: New Constraints and Atmospheric Characterization of WASP-69b Using JWST NIRCam and MIRI Observations

Thermal emission spectra provide key insights into the atmospheric composition and especially the temperature structure of an exoplanet. With broader wavelength coverage, sensitivity and higher resolution, JWST has enabled robust constraints on these properties, including detections of photochemical products. This advances the need for retrieval frameworks capable of navigating complex parameter spaces for accurate data interpretation. In this work, we introduce the emission retrieval module of NEXOTRANS, which employs both one- and two-stream radiative transfer approximations and leverages Bayesian and machine learning techniques for retrievals. It also incorporates approximate disequilibrium chemistry models to infer photochemical species like SO2. We applied NEXOTRANS to the JWST NIRCam and MIRI emission observations of WASP-69b, covering the 2-12 microns range. The retrievals place robust constraints on the volume mixing ratios (VMR) of H2O, CO2, CO, CH4, and potential SO2. The best-fit model, i.e, free chemistry combined with non-uniform aerosol coverage, yields a log(VMR) = -3.78 (+0.15/-0.17) for H2O and -5.77 (+0.09/-0.10) for CO2 which has a sharp absorption at 4.3 micron. The second best-fit model, the hybrid equilibrium chemistry (utilizing equilibrium chemistry-grids) combined with non-uniform aerosol yields a C/O of 0.42 (+0.17/-0.13) and a metallicity of log[M/H] = 1.24 (+0.17/-0.14), corresponding to approximately 17.38 times the solar value. This hybrid chemistry retrieval also constrain SO2 with a log(VMR) = -4.85 (+0.28/-0.29), indicating possible absorption features in the 7-8 microns range. These results highlight NEXOTRANS's capability to significantly advance JWST emission spectra interpretation, offering broader insights into exoplanetary atmospheres.

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arXiv2025

The interstellar heritage of comets

Comets have similar compositions to interstellar medium ices, suggesting at least some of their molecules maybe inherited from an earlier stage of evolution. To investigate the degree to which this might have occurred we compare the composition of individual comets to that of the well-studied protostellar region IRAS 16293-2422B. We show that the observed molecular abundance ratios in several comets correlate well with those observed in the protostellar source. However, this does not necessarily mean that the cometary abundances are identical to protostellar. We find the abundance ratios of many molecules present in comets are enhanced compared to their protostellar counterparts. For COH-molecules, the data suggest higher abundances relative to methanol of more complex species, e.g. HCOOH, CH3CHO, and HCOOCH3, are found in comets. For N-bearing molecules, the ratio of nitriles relative to CH3CN -- HC3N/CH3CN and HCN/CH3CN -- tend to be enhanced. The abundances of cometary SO and SO2 relative to H2S are enhanced, whereas OCS/H2S is reduced. Using a subset of comets with a common set of observed molecules we suggest a possible means of determining the relative degree to which they retain interstellar ices. This analysis suggests that over 84% of COH-bearing molecules can be explained by the protostellar composition. The possible fraction inherited from the protostellar region is lower for N-molecules at only 26--74%. While this is still speculative, especially since few comets have large numbers of observed molecules, it provides a possible route for determining the relative degree to which comets contain disk-processed material.

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arXiv2025

Expanding the Ice Inventory of NGC 1333 IRAS 2A with INDRA using JWST Observations: Tracing Organic Refractories and Beyond

In the era of JWST, with its unprecedented sensitivity and spectral resolution, infrared spectral surveys have revealed a rich inventory of ices, including complex organic molecules (COMs), in young stellar objects (YSOs). However, robust methods to decompose and quantify these absorption features particularly across broad spectral ranges, are still under investigation. We present INDRA (Ice-fitting with NNLS-based Decomposition and Retrieval Algorithm), a fully Python-based tool that performs continuum and silicate removal, global ice fitting using Weighted Non-Negative Least Squares (NNLS), and estimates column densities and statistical significance. We apply INDRA to NGC 1333 IRAS 2A, a target from the JWST Observations of Young protoStars (JOYS+) program previously studied using local fitting. We derive optical depths via polynomial continuum subtraction and remove silicate absorption using a synthetic model, isolating ice features for global MIRI fitting. Our results are consistent with previous local fits, confirming simple species and COMs, and expand the inventory by identifying additional absorption features from CO2 and NH4+. We also propose the presence of organic refractories contributing up to 9.6% in the spectral region of 5-8 microns among the various ice components, whose inclusion significantly improves the global spectral fitting. These broad absorption features, extending across 5.5-11 microns, are likely produced by large, complex molecules containing carbonyl (C=O), hydroxyl (O-H), amine (N-H), and C-H bending modes. Our expanded inventory, now incorporating these organic residues, offers new insights into the chemical evolution of ices in star-forming regions and highlights the importance of global spectral fitting in constraining ice compositions.

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arXiv2025

Gas-phase Elemental abundances in Molecular cloudS (GEMS) XI. The evolution of HCN, HNC, and N2H+ isotopic ratios in starless cores

Isotopic ratios have been used as chemical diagnostics to investigate the origin of the material in the Solar System. We have determined the HCN, HNC, and N2H+ isotopic ratios and the chemical age in a large sample of 23 starless cores located in different environments. This work uses IRAM 30m data to constrain the D/H ratio of HCN, HNC, and N2H+ as well as the 14N/15N ratio of HCN and HNC. The observed abundances have been modeled using the chemical code DNAUTILUS 2.0. Deuterated compounds are detected in all of our sample cores, with average DNC/HNC, DCN/HCN, and N2D+/N2H+ values of 0.054$\pm$0.019, 0.036$\pm$0.033, and 0.15$\pm$0.11, respectively. The deuterium fractions (Dfrac) show a weak correlation with temperature and a large scatter that reflects that other factors such as core evolution could also play a significant role. Our chemical model is able to reproduce all the observed values with 0.2-0.3 Myr in Taurus and 0.3-0.5 Myr in Perseus and Orion. The 14N/15N isotopic ratio is found to be different between HCN/HC15N (430$\pm$120) and HNC/H15NC (296$\pm$64). We find no correlation between these ratios and the deuterium fractions, but we report a weak correlation with temperature. The Dfrac of HCN, HNC, and N2H+ can be used as evolutionary tracers of starless cores as long as the physical parameters are well constrained. The HCN/HC15N and HNC/H15NC ratios are not correlated with Dfrac, suggesting that the detected variations are not correlated with the core evolutionary stage. The average value of the HCN/HC15N ratio in our sample is significantly higher than the values measured in protostars and protoplanetary disks, possibly indicating that nitrogen fractionation processes are taking place during the protostellar phase.

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arXiv2025

A Next-Generation Exoplanet Atmospheric Retrieval Framework for Transmission Spectroscopy (NEXOTRANS): Comparative Characterization for WASP-39 b Using JWST NIRISS, NIRSpec PRISM, and MIRI Observations

The advent of JWST has marked a new era in exoplanetary atmospheric studies, offering higher-resolution data and greater precision across a broader spectral range than previous space-based telescopes. Accurate analysis of these datasets requires advanced retrieval frameworks capable of navigating complex parameter spaces. We present NEXOTRANS, an atmospheric retrieval framework that integrates Bayesian inference using UltraNest/PyMultiNest with four machine learning algorithms: Random Forest, Gradient Boosting, K-Nearest Neighbor, and Stacking Regressor. This hybrid approach enables a comparison between traditional Bayesian methods and computationally efficient machine learning techniques. Additionally, NEXOTRANS incorporates NEXOCHEM, a module for solving equilibrium chemistry. We applied NEXOTRANS to JWST observations of the Saturn-mass exoplanet WASP-39 b, spanning wavelengths from 0.6 microns to 12.0 microns using NIRISS, NIRSpec PRISM, and MIRI. Four chemistry models - free, equilibrium, modified hybrid equilibrium, and modified equilibrium-offset chemistry - were explored to retrieve precise Volume Mixing Ratios (VMRs) for H2O, CO2, CO, H2S, and SO2. Absorption features in both NIRSpec PRISM and MIRI data constrained SO2 log VMRs to values between -6.25 and -5.73 for all models except equilibrium chemistry. High-altitude aerosols, including ZnS and MgSiO3, were inferred, with constraints on their VMRs, particle sizes, and terminator coverage fractions, providing insights into cloud composition. For the best-fit modified hybrid equilibrium model, we derived super-solar elemental abundances of O/H = 14.12 (+2.86/-1.82) x solar, C/H = 21.37 (+4.93/-3.18) x solar, and S/H = 5.37 (+0.79/-0.65) x solar, along with a C/O ratio of 1.35 (+0.05/-0.02) x solar, demonstrating NEXOTRANS's potential for atmospheric characterization in the JWST era and beyond.

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arXiv2025

Role of Diffusive and Non-Diffusive Grain-Surface Processes in Cold Cores: Insights from the PEGASIS Three-Phase Astrochemical Model

Cold dense cores are unique among the structures found in the interstellar medium (ISM), as they harbor a rich chemical inventory, including complex organic molecules (COMs), which will be inherited by future evolutionary stages. These molecules exist both in the gas phase and as ices accreted onto grain surfaces. To model these environments, we present Pegasis, a new, fast, and extensible three-phase astrochemical code to explore the chemistry of cold cores, with an emphasis on the role of diffusive and non-diffusive chemistry in shaping their gas and grain chemical compositions. We incorporated the 2024 KIDA chemical network and compared our results with current astrochemical models. Using a traditional rate-equation-based approach, we implemented both diffusive and non-diffusive chemistry, coupled with either an inert or chemically active ice mantle. We identify crucial reactions that enhance the production of COMs through non-diffusive mechanisms on the grain surface as well as the mechanisms through which they can accumulate in the gas phase. Across all models with non-diffusive chemistry, we observe a definite enhancement in the concentration of COMs on both the grain surface as well as in the grain mantle. Finally, our model broadly reproduces the observed abundances of multiple gas-phase species in the cold dense core TMC-1 (CP) and provides insights into its chemical age. Our work demonstrates the capabilities of Pegasis in exploring a wide range of grain-surface chemical processes and modeling approaches for three-phase chemistry in the ISM, providing robust explanations for observed abundances in TMC-1 (CP). In particular, it highlights the role of non-diffusive chemistry in the production of gas-phase COMs on grain surfaces, which are subsequently chemically desorbed, especially when the precursors involved in their formation on the surfaces are heavier than atomic hydrogen.

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