Publications

Impacts of Adsorbed N2 on the Diffusion of CO2 and H2O in CALF-20 Assessed via a Frequency Response Method

The diffusion of CO2 and H2O in CALF-20 was examined at various concentrations and in N2 and He carrier gases. The data show that N2 has a measurable impact on the diffusion of CO2 and H2O in the pores of CALF-20. The results highlight the importance of considering N2 adsorption in CO2 capture materials and the effect that co-adsorbed N2 can have on CO2 and H2O diffusion mechanisms. Because multiple diffusion data points were required as a function of concentration, concentration swing frequency response (CSFR) was used to examine the system. CSFR typically involves perturbing the inlet concentration sinusoidally at a single frequency while monitoring the concentration response at the effluent. To increase the throughput of this device, a methodology was developed based on the Fourier transform of the response of an adsorbent bed to a square wave perturbation of the inlet concentration. FT-CSFR allows multiple data points to be obtained with a single experiment and generally produces results 3x faster than sinewave-only frequency response data collection.

Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand

A series of “diamond-core” bridged dinuclear first-row transition metal complexes with the dinucleating ligand DPFN are prepared and characterized.

CCDC 900949: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The Danger of Overthinking: Examining the Reasoning-Action Dilemma in Agentic Tasks

Large Reasoning Models (LRMs) represent a breakthrough in AI problem-solving capabilities, but their effectiveness in interactive environments can be limited. This paper introduces and analyzes overthinking in LRMs. A phenomenon where models favor extended internal reasoning chains over environmental interaction. Through experiments on software engineering tasks using SWE Bench Verified, we observe three recurring patterns: Analysis Paralysis, Rogue Actions, and Premature Disengagement. We propose a framework to study these behaviors, which correlates with human expert assessments, and analyze 4018 trajectories. We observe that higher overthinking scores correlate with decreased performance, with reasoning models exhibiting stronger tendencies toward overthinking compared to non-reasoning models. Our analysis reveals that simple efforts to mitigate overthinking in agentic environments, such as selecting the solution with the lower overthinking score, can improve model performance by almost 30% while reducing computational costs by 43%. These results suggest that mitigating overthinking has strong practical implications. We suggest that by leveraging native function-calling capabilities and selective reinforcement learning overthinking tendencies could be mitigated. We also open-source our evaluation framework and dataset to facilitate research in this direction at https://github.com/AlexCuadron/Overthinking.

Computational Investigation of Ternary Na-V-VI 2 Chalcogenides and Their Thermoelectric Properties

Two-dimensional models for the combined bending and stretching of plates and shells based on three-dimensional linear elasticity

Transient growth and thinning of the barrier oxide layer on iron measured by real-time spectroscopic ellipsometry

BBF RFC 21: BglBricks Assembly Standard

The BglBricks standard has been developed as an alternative to the original XbaI/SpeI standard primarily to provide a solution to the issue of generating translational-fusion parts. When joined together in a standard assembly reaction, BglBricks parts contain a scar sequence of GGATCT between the two parts. This sequence conveniently translates as Gly-Ser in the zero frame, a commonly-used linker in protein engineering. BglBricks has previously been called the “BglBrick” standard, and is also referred to as Assembly standard 21. A consolidated description of the standard is available at: http://openwetware.org/wiki/Template:AndersonLab:BglBrick_Standard

Supernova 1992bt in NGC 3780

Simultaneous Detection and Segmentation

Biofuels Science and Facilities (Carbon Cycle 2.0)

Jay D. Keasling speaks at the Carbon Cycle 2.0 kick-off symposium Feb. 2, 2010. We emit more carbon into the atmosphere than natural processes are able to remove - an imbalance with negative consequences. Carbon Cycle 2.0 is a Berkeley Lab initiative to provide the science needed to restore this balance by integrating the Labs diverse research activities and delivering creative solutions toward a carbon-neutral energy future.

Specification of Guaranteed Quality of Service

This memo describes the network element behavior required to deliver a guaranteed service (guaranteed delay and bandwidth) in the Internet. Guaranteed service provides firm (mathematically provable) bounds on end-to-end datagram queueing delays. This service makes it possible to provide a service that guarantees both delay and bandwidth. This specification follows the service specification template described in [1].

Postdoctoral Clinical-Research Training in Psychiatry

FLUXNET-CH4: A global, multi-ecosystem dataset and analysis of methane seasonality from freshwater wetlands (Appendix B and Figure 3)

This dataset contains metadata for methane flux sites in Version 1.0 of FLUXNET-CH4. The dataset also has seasonality parameters for select freshwater wetlands, which were extracted from the raw datasets published at https://fluxnet.org/data/fluxnet-ch4-community-product/. These data are used to analyze global methane flux seasonality patterns in the paper "FLUXNET-CH4: A global, multi-ecosystem dataset and analysis of methane seasonality from freshwater wetlands" by Delwiche et al.

CCDC 1583539: Experimental Crystal Structure Determination

The Electron Spin in Silicon, a Promising Qubit

Semiconductor Surface-Molecule Interactions

Controllable etching and surface passivation of InP semiconductors are desirable for removing damaged surfaces and obtaining good electronic properties. We have observed that organic acids (α-hydroxy acids: tartaric, lactic, citric, and malic), when used in conjunction with HCl to etch the (100) surface of InP results in smoother and defect-free surfaces, in comparison to etches based on inorganic acids alone. The chelating action of the organic acids aids in efficiently removing In from the surface, which leads to a very controllable etching. These chemical treatments have implications in controlling surface properties such as band bending and surface recombination velocity. © 2002 The Electrochemical Society. All rights reserved.

Water-soluble dendritic unimolecular micelles: