Massachusetts Institute of Technology

Strong Spatial Mixing for Colorings on Trees and its Algorithmic Applications

Strong spatial mixing (SSM) is an important quantitative notion of correlation decay for Gibbs distributions arising in statistical physics, probability theory, and theoretical computer science. A longstanding conjecture is that the uniform distribution on proper q -colorings on...

Microstructural insights into fast ion transport in solid electrolytes via multiscale modeling

Abstract Improving solid electrolytes is critical for high-performance all-solid-state batteries, yet the microstructural features that enable fast ion transport remain poorly understood. Here, we use multiscale modeling to resolve polycrystalline ion transport from atomic-scale...

Extreme Event Aware (η-) Learning

Quantifying and predicting rare and extreme events is challenging because such events are infrequent, severe, and expensive to simulate. Existing data-driven methods often require multiple extremes in the training data or sampling process, leading to accurate predictions in quies...

BOS-TMC Data Set:DFT Properties of 159k ExperimentallyCharacterized Transition Metal Complexes Spanning Multiple Chargeand Spin States

Abstract We present the Boston Open-Shell Transition Metal Complex (BOS-TMC) data set, a set of density functional theory (DFT) properties for 159k experimentally characterized mononuclear transition metal complexes (TMCs) in multiple spin states with a range of formal charges de...

Crystallizationfor Manufacturing in Microgravity;Are We There Yet?

Abstract Crystallization in microgravity has been extensively investigated because of its potential to enhance crystal quality compared to terrestrial conditions. While early efforts were primarily directed toward single-crystal growth for structural studies, increasing attention...

Streamlining analysis and design of two-dimensional electronic spectroscopy using machine learning

Two-dimensional electronic spectroscopy (2DES) offers unique insights into the coupling between electronic and nuclear motion and dynamics, making it a key technique in diverse fields, including materials science and biology. Obtaining 2DES data requires a series of measurements...

Development of a chemometric platform for mid-infrared fermentation monitoring

<title>Abstract</title> Industrial bioprocess development still depends heavily on off-line analytics such as HPLC, which, while accurate, are slow and limit real-time decision-making. Process Analytical Technologies (PAT) can overcome this barrier, with mid-infrared spectroscopy...

Airborne eddy covariance measurements of ocean-air VOC fluxes: Distinguishing signal from noise

Abstract. Ocean-atmosphere exchange plays an important but uncertain role for many volatile organic compounds (VOCs). Airborne eddy covariance (EC) enables direct flux quantification over large areas, but VOC applications have largely been performed over land. Here we combine the...

Mixed positive and negative feedback loops drive diverse single-cell gene expression dynamics

Abstract Genetic circuits with only a few components can generate complex gene regulatory dynamics. Here, we combine stochastic modelling and single-cell time-lapse microscopy to reveal the possible dynamics generated by a key gene circuit motif: the mixed positive/negative feedb...

Selective Electrodepositionof Cobalt from Lithium–IonBattery Cathodes via Speciation Control and Surface-Modified PorousElectrodes

Abstract Electrochemical separations have emerged as cost-effective and sustainable pathways for battery recycling. To address the challenge of cobalt–nickel separation from lithium nickel manganese cobalt oxide (NMC) cathodes in spent batteries, we present a synergistic strategy...

Spin state and orbital engineering of cuprous oxide for efficient nitrate reduction

Abstract Electrocatalytic nitrate reduction provides a sustainable pathway for wastewater treatment and ammonia production, yet the complex multi‑electron transfer demands efficient catalysts to achieve both high selectivity and fast kinetics. Here we show that atomic substitutio...

Emergence of biosignatures on Earth and implications for life detection

Earth’s organic chemical evolution (OCE) from abiotic to prebiotic to biotic provides critical insights that may have implications for how we interpret observations made by life-detection planetary missions. To search for life on other worlds, astrobiologists seek biosignatures:...

Electromagnetic Signatures from Primordial Black Holes in the Solar System

Primordial black holes (PBHs) in the asteroid-mass range, with typical masses 1017g≲M≲1023g, have drawn significant recent attention as viable dark matter candidates. The peak frequencies of photons emitted via Hawking radiation from asteroid-mass PBHs range from infrared to γ-ra...

Operational Fuel Inefficiency in Cruise Flight: A Worldwide Geospatial Analysis

Aircraft often deviate from fuel-optimal trajectories during the cruise phase of flight, which accounts for approximately 70% of aviation fuel consumption. Deviations in horizontal route, altitude, and speed lead to excess fuel burn, increased CO₂ emissions, and higher operationa...

Multimodal profiling of pro-inflammatory protease activity identifies caspase-1 as a target for lung cancer interception

Abstract The systemic inhibition of IL-1b, a key mediator of pulmonary inflammation, has been shown to reduce the incidence of lung cancer in patients in years following treatment, but knowledge gaps surrounding its activation and role in the tumor microenvironment are hindering...

Mucin promotes Psl production and surface exploration in Pseudomonas aeruginosa

ABSTRACT In chronic, recalcitrant infections, Pseudomonas aeruginosa forms biofilm aggregates that are encapsulated in a protective extracellular matrix made of exopolysaccharides, extracellular DNA, and matrix proteins. Biofilm formation is a major cause of antibiotic clearance...

A language network in the individualized functional connectomes of 1199 human brains doing arbitrary tasks

A century and a half of neuroscience has yielded many divergent theories of the neurobiology of language. Two factors that likely contribute to this situation include (a) conceptual disagreement about language and its component processes, and (b) intrinsic inter-individual variab...

UltrafastSwitchable Polar and Magnetic Orders byNonlinear Light–Matter Interaction

Abstract An outstanding challenge in materials science and physics is the harnessing of light for switching ferroic orders in, e.g., ferroelectrics. Here, we propose a mechanism through which electrons in few-layer 2D materials excited with above-bandgap light cause ionic structu...

Exploring the feasibility of an air sensor array for real-time detection and characterization of VOCs

Abstract. Volatile organic compounds (VOCs) are an important class of atmospheric chemical species that can be directly harmful to human health and contribute to the formation of hazardous secondary products. Measurements of ambient VOCs are typically made using “offline” techniq...

The Potential of Operando DRIFT Spectroscopy for Studying Degradation Mechanisms of Metal Oxide‐Based Electrochemical Cells

ABSTRACT High‐temperature electrochemical oxide devices are promising for many applications. These devices are known to be prone to degradation, yet the mechanisms remain poorly understood. In this perspective, we summarize the techniques most used to study degradation in metal o...