Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons by WooSeok Jeong (3206778)

“…These ALCI wave functions are promising and affordable starting points for the subsequent second-order perturbation theory or pair-density functional theory calculations.…”

Modeling with uniform <i>σ</i> values. by Giacomo Janson (8138517)

Effect of <i>|Δd</i>_<i>n</i><i>|</i> perturbation on 3D modeling. by Giacomo Janson (8138517)

Revisiting the “satisfaction of spatial restraints” approach of MODELLER for protein homology modeling by Giacomo Janson (8138517)

“…This program implements the “modeling by satisfaction of spatial restraints” strategy and its core algorithm has not been altered significantly since the early 1990s. …”

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language by K. Grace Johnson (9040330)

Subjects:

Determination of the time delay ‘differ’ between the corresponding peaks of the ECG and BP. by Qiong Yu (446491)

Example of use of the slightly off-axis strategies. by Raul Castañeda (13932971)

Example of the fully-compensated phase reconstruction package for off-axis DHM holograms recorded in telecentric configuration. by Raul Castañeda (13932971)

Multicomponent Unitary Coupled Cluster and Equation-of-Motion for Quantum Computation by Fabijan Pavošević (2181412)

“…The variational quantum eigensolver (VQE) algorithm combined with the unitary coupled cluster (UCC) ansatz has been developed for the quantum computation of molecular energies and wave functions within the Born–Oppenheimer approximation. …”

Tradeoff between detection sensitivity and specificity. by Nathan Duarte (11014998)

Impact of increasing adherence under different technology assumptions. by Nathan Duarte (11014998)

Impact of increasing uptake under different technology assumptions. by Nathan Duarte (11014998)

Comparison of edge detector and CHT in detecting droplets. by Manibarathi Vaithiyanathan (6655274)

Chemist: A Domain-Specific Language by Chemists for Chemists by Jonathan M. Waldrop (22063661)

“…Using Chemist, QC tasks are defined using familiar domain concepts such as molecules, wave functions, and operators. The domain objects are hierarchical to ensure a systematic encapsulation of information. …”

<b>Algorithm Pseudocode</b> by Yibin Zhao (22425801)

Python code, input data, and outputs of Fourier analysis and Dynamic Time Warping from McGlasson et al. by Riley McGlasson (13876874)

“…</p> <h4><strong>Python Function Files:</strong></h4> <p>radarfuncs.py: Holds three functions used for FFT and DTW analysis.…”

Table_1_NeuroRA: A Python Toolbox of Representational Analysis From Multi-Modal Neural Data.pdf by Zitong Lu (9913770)

Presentation_2_NeuroRA: A Python Toolbox of Representational Analysis From Multi-Modal Neural Data.pdf by Zitong Lu (9913770)

Table_2_NeuroRA: A Python Toolbox of Representational Analysis From Multi-Modal Neural Data.pdf by Zitong Lu (9913770)

Image_1_NeuroRA: A Python Toolbox of Representational Analysis From Multi-Modal Neural Data.pdf by Zitong Lu (9913770)