Most of our work has resulted in scholarly publications. On this page you can review our publications to get an idea about our work.
SSS-mod
September, 2025 • Software
Atamer Balkan, Büsra, Teberg, Colin David, ten Bosch, Quirine
SSS-mod: Setting-Specific Spread Model — An agent-based model for simulating population-level disease transmission across indoor settings
SSS-mod is a stochastic agent-based simulation model des…
SSS-mod: Setting-Specific Spread Model — An agent-based model for simulating population-level disease transmission across indoor settings
SSS-mod is a stochastic agent-based simulation model designed to study the spread of a respiratory disease (e.g., COVID-19) across various indoor social and physical activity spaces. The model allows users to simulate the effects of setting-specific interventions, such as stay-at-home orders, restaurant closures, workplace restrictions, or other targeted shutdowns, on disease transmission.
Version 2.0.0 reproducibility code and deidentified derived features for the manuscript Prediction of a Task-Specific AI-Reliance Choice from Facial Expression and Galvanic Skin Response Signals, by H…
Version 2.0.0 reproducibility code and deidentified derived features for the manuscript Prediction of a Task-Specific AI-Reliance Choice from Facial Expression and Galvanic Skin Response Signals, by Hamid Shamszare and Avishek Choudhury. The package reproduces statistical results from the fixed N=60 cohort using repeated participant-level cross-validation, cross-fitted stacking, bootstrap intervals, and paired AUC comparisons. It includes reference outputs and verification instructions. Raw biometric recordings and raw-feature extraction are outside the shared package. The study is exploratory, and the results do not establish generalizable predictive ability or a general advantage or lack of value of multimodal fusion. Code is licensed under MIT; derived data and documentation are licensed under CC BY 4.0. Generative AI assistance and numerical validation are disclosed in the README.
Decision Volume: A Structural Model of Cognitive Dimensionality, Agency, and Collapse
October, 2026 • Preprint
Bailey, Denis
Decision Volume introduces a structural invariant of cognition that quantifies a system’s total actionable capacity for coherent decision-making. Defined as the multiplicative interaction of bre…
Decision Volume introduces a structural invariant of cognition that quantifies a system’s total actionable capacity for coherent decision-making. Defined as the multiplicative interaction of breadth (available alternatives), depth (temporal and implicational extension), and integration (coherence among alternatives), decision volume provides a geometric measure of agency: V = B · D · I.
The framework unifies cognitive stability, collapse, recovery, identity continuity, and the phenomenology of choice under a single volumetric model. Collapse occurs when decision volume falls below a functional threshold, producing predictable signatures such as narrowed alternatives, shortened horizons, distorted implications, and fragmented identity. Recovery is the ordered re‑expansion of breadth, depth, and integration.
The model offers a structural reinterpretation of psychiatric conditions—including depression, anxiety, ADHD, trauma, mania, and dissociation—as disorders of decision‑volume dynamics. It further extends to artificial systems, proposing decision volume as a foundational quantity for evaluating coherence, stability, and collapse in computational agents.
ProPrep: A Preparation Assistant for (Metallo)protein Simulations
October, 2026 • Software
Guberman-Pfeffer, Matthew J., Walker, Adara, Nielsen, Padraic, Cairns, John
ProPrep, a preparation program distributed with AmberTools26, orchestrates structure retrieval, assembly, alignment, curation, repair, simulation, and analysis for both soluble and membrane-embedded (…
ProPrep, a preparation program distributed with AmberTools26, orchestrates structure retrieval, assembly, alignment, curation, repair, simulation, and analysis for both soluble and membrane-embedded (metallo)proteins. ProPrep detects, parameterizes, and transforms specialized residues, including metal sites, modified amino acids, and organic cofactors into force field-compatible forms, and deposits the parameters into a user library for reuse. Sessions are recorded to a file so that work can be resumed, replayed, or repurposed for batch processing similar structures. In doing so, ProPrep serves both the newcomer learning the field and the expert working at scale.
molecular dynamicsQM/MMstructure preparationforce field parameterizationmetalloproteins
Charlie Zender, hmb1, Daniel L. Wang, wenshanw, JeromeMaoet al.
This is a small, bug-fix release. Version 5.4.1 contains fixes necessary for ncremap and ncclimo to work smoothly. The method of using MPI has changed to accomodate SLURM settings on some DOE supercom…
This is a small, bug-fix release. Version 5.4.1 contains fixes necessary for ncremap and ncclimo to work smoothly. The method of using MPI has changed to accomodate SLURM settings on some DOE supercomputers.
There is an increasing interest in upgrading the EModel, a parametric tool for speech quality estimation, to the wideband and super-wideband contexts. The
Contemporary models of Unmanned Aerial Vehicles (UAVs) are largely developed using simulators. In a typical scheme, a flight simulator is dovetailed with a
Undertaking engineering research can be compounding for beginning graduate students and thwarting even for seasoned researchers. With a wealth of academic
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