SEARCH · Engineering Papers

Results for “harmonization strategy”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Profiling expression strategies for a type III polyketide synthase in a lysate-based, cell-free system

Abstract Some of the most metabolically diverse species of bacteria (e.g., Actinobacteria) have higher GC content in their DNA, differ substantially in codon usage, and have distinct protein folding environments compared to tractable expression hosts like Escherichia coli . Consequentially, expressing biosynthetic gene clusters (BGCs) from these bacteria in E. coli often results in a myriad of unpredictable issues with regard to protein expression and folding, delaying the biochemical characterization of new natural products. Current strategies to achieve soluble, active expression of these enzymes in tractable hosts can be a lengthy trial-and-error process. Cell-free expression (CFE) has emerged as a valuable expression platform as a testbed for rapid prototyping expression parameters. Here, we use a type III polyketide synthase from Streptomyces griseus , RppA, which catalyzes the formation of the red pigment flaviolin, as a reporter to investigate BGC refactoring techniques. We applied a library of constructs with different combinations of promoters and rppA coding sequences to investigate the synergies between promoter and codon usage. Subsequently, we assess the utility of cell-free systems for prototyping these refactoring tactics prior to their implementation in cells. Overall, codon harmonization improves natural product synthesis more than traditional codon optimization across cell-free and cellular environments. More importantly, the choice of coding sequences and promoters impact protein expression synergistically, which should be considered for future efforts to use CFE for high-yield protein expression. The promoter strategy when applied to RppA was not completely correlated with that observed with GFP, indicating that different promoter strategies should be applied for different proteins. In vivo experiments suggest that there is correlation, but not complete alignment between expressing in cell free and in vivo. Refactoring promoters and/or coding sequences via CFE can be a valuable strategy to rapidly screen for catalytically functional production of enzymes from BCGs, which advances CFE as a tool for natural product research.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Applying Linear Optics from Closed Orbits Modulation for finding beam-based alignment of harmonic sextupoles

A fast and accurate beam-based alignment (BBA) method for harmonic sextupoles has been devel oped at NSLS-II using Linear Optics from Closed Orbit Modulation (LOCOM). The approach excites the beam with simultaneous sine-wave signals at two fast correctors, chosen with an appropriate phase advance to span the full betatron phase space. This strategy suppresses systematic errors from hysteresis, while additional errors from orbit drift and power-supply calibration are minimized by the short measurement time (a few minutes) and reliance solely on beam-based current-to-field conver sion of the sextupoles, with hysteresis explicitly included. Simulations indicate that Linear Optics from Closed Orbits (LOCO) combined with 0.5 mm local orbit bumps can resolve relative sextupole field offsets (∆k₂) with precision better than 10% of k₂, reflecting to beam-based alignment (BBA) accuracy finer than 50 µm. Moreover, employing machine-learning-optimized local orbit bumps en hances sextupole-induced quadrupole signals in a deterministic manner and maintains orbit stability under large sextupole strength variations (±40%). The proposed method is experimentally validated through proof-of-principle measurements at NSLS-II, demonstrating its potential as a fast, precise, and robust tool for harmonic sextupole alignment.

43 PARTICLE ACCELERATORS↗

NASA NTRS1980

Considerations in the placement of phase calibration tones

In the use of tones to calibrate unwanted instrumental phases for very long baseline interferometry experiments, certain problems exist which are related to the placement of these phase calibrator tones. (1) A bias exists in an analytically generated stopping function used during correlation if its frequency satisfies the following condition; f = (f sub s)x(m)/n, where f sub s = sampling frequency, m = any integer, and n = any odd integer. (2) Due to the quantized representation of sine waves in the stopping function, odd harmonics of the fundamental frequencies are generated. Several mechanisms are available through which these harmonics can cause errors in the residual phase extracted from the recorded tones. (3) When multiple tones are injected into a pass band, intermodulation products can occur. The magnitude of these effects is discussed along with strategies designed to avoid them.

Young, L. E.↗

DOE OSTI2026

From models to reality: a systematic review on simulated and measured residential heat pump energy savings

High-performance HVAC solutions are central to residential energy management. A substantial share of these are electric, reversible-cycle systems, with heat pumps representing the largest portion of current and near-term adoption. This review synthesizes peer-reviewed and grey literature on residential space heating and cooling heat pumps. The academic literature is dominated by modeling (73.8%), with limited field measurement (13.1%). Grey literature from United States serve as a supplemental resource providing measured savings. Conversions from electric-resistance heating consistently show the largest site energy reductions, while oil/propane baselines yield moderate savings, and gas baseline scenario often deliver small and region-dependent savings. This study cross-checks the grey literature measured data with simulation data filtered from the ResStock dataset. The comparison indicates a discrepancy between simulations and measured data: simulated site EUIs are typically lower than measured EUIs, but percentage energy savings fall in similar ranges, implying simulations capture directional effects while underestimating energy use. Factors associated with variability and model–measurement differences include system characterization and control representation (e.g., backup heat engagement, thermostat/setpoint strategies, commissioning/installation quality), occupant behavior, weather normalization, metering scope, and envelope characterization. This paper also outlines the proposed methodology for comparing simulation and measured data for heat pumps. It emphasizes the metrics used for comparison and units harmonization, building characteristics matching, and compact metadata are needed for simulations to match measured data. The proposed methodology is expected to improve the credibility of simulated savings as measured evidence grows.

Yu, Lili↗

DOE OSTI2026

Automated ICRF heating surrogate modeling via machine learning

This work introduces automated machine learning workflows that address critical bottlenecks in surrogate model development for Ion Cyclotron Range of Frequencies (ICRF) heating applications. The automated framework includes data analysis tools that transform raw datasets into actionable insights in seconds, replacing weeks of manual exploratory effort and ensuring consistent, reproducible dataset characterization. By integrating advanced hyperparameter optimization (HPO) methods including Bayesian optimization via BoTorch and Tree-structured Parzen Estimators (TPE), the framework significantly reduces model development time from weeks to hours, decreasing computational cost and required expertise, while enabling high-accuracy surrogate models. Compared to traditional hyperparameter scanning (HPS) techniques such as methodical, randomized, and grid searches, HPO methods achieve superior convergence and predictive performance, even when compared to already well-tuned reference models. On NSTX High Harmonic Fast Wave (HHFW) heating datasets, both Random Forest Regressor (RFR) and neural network surrogates demonstrate improved accuracy, achieving R 2 values beyond 0.97 and 0.98, respectively. The results show that while HPO gains are modest for robust architectures like RFR, they become essential for more sensitive models such as neural networks, highlighting the trade-offs across optimization strategies. Through automated workflows that eliminate manual hyperparameter tuning and require minimal ML expertise, this work enables widespread adoption of high-fidelity surrogate models across the fusion community for real-time plasma control, uncertainty quantification, rapid experimental scenario development, and integrated system optimization.

Sanchez-Villar, Alvaro [Princeton Plasma Physics L↗

NASA NTRS2021

The Current State and Future of the Former Central Nervous System Risk Managed by Space Radiation Element Part of NASA’s Human Research Program

Historically, the Space Radiation Element, as part of the NASA Human Research Program, was responsible for the scientific strategy and funding of research focused on characterizing and mitigating the effects of space radiation exposure on the central nervous system (CNS). During the past few of years, there have been two major changes that have affected the management of the science associated with the CNS risk. The first major change was the integration of several related risks: CNS (C), Behavioral medicine (B), and sensorimotor (S) to be managed as an integrated effort called CBS. CBS was formed to accelerate research on combined spaceflight stressors, specifically space radiation, microgravity, isolation, and confinement. CBS was managed by Human Factors and Behavioral Performance (HFBP) with support and inputs from Space Radiation as well as Human Health Countermeasures. Secondly, and more recently, the CNS risk was absorbed by the behavioral medicine risk currently also held by HFPB. As a result, the gaps associated with CNS were removed and aspects of them are represented in the BMED gaps (link). However, due to recent changes in element leadership, budget, and timeline, extensive restructuring of CBS is in progress. In addition, in an effort to harmonize datasets to be used in modelling efforts, an Animal Standardization TIM was held in June 2021 to standardize the type of behavioral and cognitive tasks as well as experimental set-ups. This presentation is an effort to communicate with the radiation research community concerning the strategy, management, and future of the former central nervous system risk and the role of the Space Radiation Element.

central nervous system↗

DOE OSTI2024

Real-time capable modeling of ICRF heating on NSTX and WEST via machine learning approaches

Abstract A real-time capable core Ion Cyclotron Range of Frequencies (ICRF) heating model on NSTX and WEST is developed. The model is based on two nonlinear regression algorithms, the random forest ensemble of decision trees and the multilayer perceptron neural network. The algorithms are trained on TORIC ICRF spectrum solver simulations of the expected flat-top operation scenarios in NSTX and WEST assuming Maxwellian plasmas. The surrogate models are shown to successfully capture the multi-species core ICRF power absorption predicted by the original model for the high harmonic fast wave and the ion cyclotron minority heating schemes while reducing the computational time by six orders of magnitude. Although these models can be expanded, the achieved regression scoring, computational efficiency and increased model robustness suggest these strategies can be implemented into integrated modeling frameworks for real-time control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

A Hybrid Fuel Cell and Battery Storage Power Management for Grid-Interactive EV Charging Station

With the increasing adoption of renewable energy sources in grid-interactive Electric Vehicle (EV) charging stations, the role of energy storage systems has become critical. While large energy storage systems have mitigated the intermittency of renewable energy, integrating multi-source energy management with prioritized charging can further enhance the reliability of charging stations (CS). This paper presents a decentralized energy management (DEM) approach combining battery energy storage (BES) and fuel cell (FC) systems using a rule-based line resistance correction droop (LRCD) control technique. The proposed droop control dynamically adjusts the gain to balance the state-of-charge (SoC) of the BES, enhancing power support longevity and improving battery life under varying capacity conditions by reducing current stress. Additionally, the paper addresses the challenges of using fuel cells in linear regions to optimize efficiency and manage various charging scenarios. The CS integrates unity power factor grid interaction, and power support for auxiliary loads, maintaining harmonic distortion within 5% during grid islanding. The approach evaluates DC bus voltage regulation under various scenarios of PV array power fluctuations and dynamic load variations, in both grid-connected and standalone operations. In conclusion, the proposed control strategy is validated on a laboratory prototype through various dynamic load variation and grid islanding scenarios.

Khalid, Mohd [Oak Ridge National Laboratory (ORNL)↗

DOE OSTI2024

Quadrature Based Neural Network Learning of Stochastic Hamiltonian Systems

Hamiltonian Neural Networks (HNNs) provide structure-preserving learning of Hamiltonian systems. In this paper, we extend HNNs to structure-preserving inversion of stochastic Hamiltonian systems (SHSs) from observational data. We propose the quadrature-based models according to the integral form of the SHSs’ solutions, where we denoise the loss-by-moment calculations of the solutions. The integral pattern of the models transforms the source of the essential learning error from the discrepancy between the modified Hamiltonian and the true Hamiltonian in the classical HNN models into that between the integrals and their quadrature approximations. This transforms the challenging task of deriving the relation between the modified and the true Hamiltonians from the (stochastic) Hamilton–Jacobi PDEs, into the one that only requires invoking results from the numerical quadrature theory. Meanwhile, denoising via moments calculations gives a simpler data fitting method than, e.g., via probability density fitting, which may imply better generalization ability in certain circumstances. Numerical experiments validate the proposed learning strategy on several concrete Hamiltonian systems. The experimental results show that both the learned Hamiltonian function and the predicted solution of our quadrature-based model are more accurate than that of the corrected symplectic HNN method on a harmonic oscillator, and the three-point Gaussian quadrature-based model produces higher accuracy in long-time prediction than the Kramers–Moyal method and the numerics-informed likelihood method on the stochastic Kubo oscillator as well as other two stochastic systems with non-polynomial Hamiltonian functions. Moreover, the Hamiltonian learning error εH arising from the Gaussian quadrature-based model is lower than that from Simpson’s quadrature-based model. These demonstrate the superiority of our approach in learning accuracy and long-time prediction ability compared to certain existing methods and exhibit its potential to improve learning accuracy via applying precise quadrature formulae.

Mathematics↗

DOE OSTI2020

Comparison of Dead-Time Effects in a WPT System Inverter for Different Fixed-Frequency Modulation Techniques

In this paper, a comparative study of the dead-time effects in a wireless power transfer (WPT) system inverter is performed for different fixed-frequency control techniques. The dead-time is provided between the complementary switching instances of the inverter phase-legs to ensure safe operation of the input power source. Under certain operating conditions, the dead-time results in waveform distortions or voltage-polarity reversal (VPR) at the inverter output. The VPR affects the switching characteristics, harmonic spectrum, switching losses, and output voltage/power of the system. A detailed analysis of the dead-time effect on the WPT system parameters such as output voltage and output power is conducted for the different fixed-frequency control strategies (i.e., traditional phase-shift control, asymmetrical clamped-mode, and asymmetrical duty-cycle control). Furthermore, the impact of dead-time on the inverter switching losses is compared for the different control strategies.

Kavimandan, Utkarsh↗

DOE OSTI2020

The Human Phenotype Ontology in 2021

The Human Phenotype Ontology (HPO, https://hpo.jax.org) was launched in 2008 to provide a comprehensive logical standard to describe and computationally analyze phenotypic abnormalities found in human disease. The HPO is now a worldwide standard for phenotype exchange. The HPO has grown steadily since its inception due to considerable contributions from clinical experts and researchers from a diverse range of disciplines. Here, we present recent major extensions of the HPO for neurology, nephrology, immunology, pulmonology, newborn screening, and other areas. For example, the seizure subontology now reflects the International League Against Epilepsy (ILAE) guidelines and these enhancements have already shown clinical validity. We present new efforts to harmonize computational definitions of phenotypic abnormalities across the HPO and multiple phenotype ontologies used for animal models of disease. These efforts will benefit software such as Exomiser by improving the accuracy and scope of cross-species phenotype matching. The computational modeling strategy used by the HPO to define disease entities and phenotypic features and distinguish between them is explained in detail. We also report on recent efforts to translate the HPO into indigenous languages. Finally, we summarize recent advances in the use of HPO in electronic health record systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Accelerated Wind-Turbine Wake Recovery Through Actuation of the Tip-Vortex Instability

Advances in wind-plant control have often focused on more effectively balancing power between neighboring turbines. Wake steering is one such method that provides control-based improvements in a quasi-static way, but this does little to fundamentally change the wake recovery process, and thus, it has limited potential. This study investigates use of another control paradigm known as dynamic wake control (DWC) to excite the mutual inductance instability between adjacent tip-vortex structures, thereby accelerating the breakdown of the structures. The current work carries this approach beyond the hypothetical by applying the excitation via turbine control vectors that already exist on all modern wind turbines: blade pitch and rotor speed control. The investigation leverages a free-vortex wake method (FVWM) that allows a thorough exploration of relevant frequencies and amplitudes of harmonic forcing for each control vector (as well as the phase difference between the vectors for a tandem configuration) while still capturing the essential tip-vortex dynamics. The FVWM output feeds into a Fourier stability analysis working to pinpoint candidate DWC strategies suggesting fastest wake recovery. Near-wake length reductions of >80% are demonstrated, although without considering inflow turbulence. Analysis is provided to interpret these predictions considering the presence of turbulence in a real atmospheric inflow.

17 WIND ENERGY↗

NASA NTRSDate not supplied

Anthropogenic Pathways for Modeling and Managing Future Arctic Fires

Wildland fires, including extreme fire events and seasons, are becoming more common in the boreal and Arctic regions due to climate change. Current climate modeling approaches do not include country- or region-specific socioeconomic pathways that specifically address the drivers of and potential mitigation techniques for wildland fires. Forest management, energy extraction, and tourism, together with firefighting capacity and readiness as well as fuels treatment, can have a significant impact on future wildland fire risks and impacts. To assess the impacts of anthropogenic factors and to align with previous work done on shared socioeconomic pathways (SSPs), climate pathways for future wildfires up to 2050 were created for the states that compose the original Arctic Council countries: Canada, the United States, the Kingdom of Denmark, Iceland, Sweden, Norway, and Finland as well as the Russian Federation (with whom the other seven countries withdrew participation from in May 2022 due to the invasion and ongoing war in Ukraine). High and low fire activity and risk pathways for all states comprising the Arctic were made, with expert ‘best guess’ pathways for each state created separately to represent the middle of road. The low activity and low fire risk pathways, named “We Got This”, assume active fire suppression via citizenry participation and official land management, efficient and extensive fuel treatments, and consistent and active wildland firefighting for each new ignition. The high activity and high fire risk pathways, named “Let It Burn”, assume nearly the opposite, due to lack of government and community response and no action on climate change drivers that increase wildland fire risk. The ‘best guess’ pathway, named “The Fire Will Come”, indicates that some countries are currently on the pathway for less fire compared to other Arctic and Boreal states but not a ‘no-fire’ future. For example, in the Nordic countries, human ignition sources from tourism, timber and energy extraction, summer cottages, and expanding wildland-urban intermix due to exurban growth may increase. In North America, these same risks will apply but also may see an expansion of agriculture that increases the likelihood of open burning in croplands. Drier fuel condition and extreme heat events due to climate change create favorable conditions for extreme wildfires from any ignition source. Throughout the Arctic and boreal lightning is expected to increase, increasing the risk of tundra fires in addition to forest fires in hard-to-reach locations that are more difficult to coordinate and execute wildland firefighting. To move the future Arctic fire SSPs forward, several short-term and long-term actions must be completed. Certain data needs are required, like a harmonized pan-Arctic and pan-boreal fuels geospatial product, while also a need to refine and socialize current definitions of fire seasons and fire management – including developing an open-source system to track and share innovation, mitigation, and adaptation strategies across Arctic states.

Arctic↗

NASA NTRSDate not supplied

The Current State and Future of the Former Central Nervous System Risk Managed by Space Radiation Element Part of NASA’s Human Research Program

Historically, the Space Radiation Element, as part of the NASA Human Research Program, was responsible for the scientific strategy and funding of research focused on characterizing and mitigating the effects of space radiation exposure on the central nervous system (CNS). During the past few years, there have been two major changes that have affected the management of the science associated with the CNS risk. The first major change was the integration of several related risks: CNS (C), behavioral medicine (B), and sensorimotor (S) to be managed as an integrated effort called CBS. CBS was formed to accelerate research on combined spaceflight stressors, specifically space radiation, microgravity, isolation, and confinement. CBS was managed by Human Factors and Behavioral Performance (HFBP) with support and inputs from Space Radiation as well as Human Health Countermeasures. Secondly, and more recently, the CNS risk was absorbed by the behavioral medicine risk currently also held by HFPB. As a result, the gaps associated with CNS were removed and aspects of them are represented in the BMED gaps (link). However, due to recent changes in element leadership, budget, and timeline, extensive restructuring of CBS is in progress. In addition, in an effort to harmonize datasets to be used in modeling efforts, an Animal Standardization TIM was held in June 2021 to standardize the type of behavioral and cognitive tasks as well as experimental set-ups used in animal models of future funded research. This presentation is an effort to communicate with the radiation research community concerning the strategy, management, and future of the former central nervous system risk and the role of the Space Radiation Element.

Janice A Zawaski↗

DOE OSTI2025

Standardization and Recommendations for EVSE Cybersecurity Standards

Currently, there is an absence of cybersecurity certification programs specifically for EVSE. Many existing standards focus primarily on safety, such as battery safety, while others provide cybersecu rity guidelines for different types of equipment, which could be adapted for EVSE. Among these, ISA/IEC 62443 has been identified as highly aligned with EVSE security needs. This report is a follow on to the previous research published (“Assessment and Coordination of EVSE Cybersecurity Standards,”). This report aims to find appropriate strategies for closing the gaps found in the aforementioned report and continue to work towards a comprehensive cybersecurity certification program for EVSE. Future testing will leverage this standard to assess EVSE security gaps and strengths, providing valuable insights to support certification development and harmonization of cybersecurity standards.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2026

Leveraging large language models to address data scarcity in machine learning for graphene synthesis

Machine learning in experimental materials science faces significant challenges due to the scarcity of data, which are costly and time-consuming to generate, particularly when relying on in-house experiments. Literature data mining offers a potential solution but introduces issues like mixed data quality, inconsistent formats, and non-uniform reporting of synthesis parameters, resulting in partially missing and heterogeneous features across the dataset. Here, we propose data imputation and feature engineering methods that employ pre-trained large language models (LLMs) to enhance machine learning performance on scarce, heterogeneous datasets, demonstrated on graphene CVD synthesis data and the ML-HydPARK hydrogen storage dataset. GPT models perform data imputation via tailored prompting and semantic normalization of inconsistently reported features through embeddings, for example, to harmonize the complex nomenclature of CVD substrates. Beyond yielding more diverse and richer feature representations than traditional methods such as K-nearest neighbors (KNN) and Multivariate Imputation by Chained Equations (MICE), LLM-based data imputation is evaluated against dataset characteristics and prompting strategies. We vary the level of autonomy granted to the LLM, from generic prompting that leverages pre-trained knowledge for autonomous data generation to data-informed prompting that constrains outputs using target-specific information, and demonstrate which level of autonomy yields superior imputation performance across datasets and feature types. The proposed data engineering methods markedly improve downstream performance; for example, in graphene layer number classification using a support vector machine (SVM), binary accuracy increases from 39% to 65% and ternary accuracy from 52% to 72%. Fine-tuning experiments on both datasets show that combining our proposed LLM-based data imputation and feature encoding methods with numerical machine learning predictors outperforms standalone fine-tuned LLM predictors in data-scarce settings. The proposed strategies emphasize data enhancement techniques rather than refining learning architectures or regularizing loss functions, offering a broadly applicable framework for improving machine learning performance on scarce, inhomogeneous datasets.

Chemical vapor deposition↗

DOE OSTI2020

Validation of finite element analysis strategy to investigate acoustic levitation in a two-axis acoustic levitator

A two-axis acoustic levitator can be used to generate a standing pressure wave capable of levitating solid and liquid particles at appropriate input conditions. This work proposes a simulation framework to investigate the two-axis levitation particle stability using a commercial, computational fluid dynamics software based on the harmonic solution to the acoustic wave equation. The simulation produced predictions of the standing wave that include a strong "+" shaped pattern of nodes and anti-nodes that are aligned with the levitator axes. To verify the simulation, a levitator was built and used to generate the standing wave. The field was probed with a microphone and a motorized-scanning system. After scaling the simulated pressure to the measured pressure, the magnitudes of the sound pressure level at corresponding high-pressure locations were different by no more than 5%. This is the first time a measurement of a two-axis levitator standing pressure wave has been presented and shown to verify simulations. Furthermore, as an additional verification, the authors consulted high speed camera measurements of a reference-levitator transducer, which was found to have a maximum peak-to-peak displacement of 50 +/- 5 mu m. The reference-levitator is known to levitate water at 160 dB. The system for this work was simulated to match the operation of the reference-levitator so that it produced sound pressure levels of 160 dB. This pressure was achieved when the transducer maximum peak-to-peak displacement was 50.8 mu m. The agreement between the two levitators' displacements provides good justification that the modeling approach presented here produces reliable results.

2 axis levitator↗

DOE OSTI2026

Comparison between explicit and implicit discretization strategies for a dissipative thermal environment

We investigate strategies for simulating open quantum systems coupled to dissipative baths by comparing explicit wave function-based discretization [via multi-layer multi-configuration time-dependent Hartree (ML-MCTDH)] and the implicit density matrix-based master equation method [via tree tensor network hierarchical equations of motion (TTN-HEOM)]. For dissipative baths characterized by exponentially decaying bath correlation functions, the implicit discretization approach of HEOM—rooted in bath correlation function decompositions—proves significantly more efficient than explicit discretization of the bath into discrete harmonic modes. Explicit methods, like ML-MCTDH, require extensive mode discretization to approximate continuum baths, leading to computational bottlenecks. Case studies for two-level systems and a Fenna–Matthews–Olson complex model highlight TTN-HEOM’s superiority in capturing dissipative dynamics with relaxations with a minimal number of auxiliary modes, while the explicit methods are as exact as the HEOM in pure dephasing regimes. This comparison is enabled by the TENSO package, which has both ML-MCTDH and TTN-HEOM implemented using the same computational structure and propagation strategy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗