Python scripts used to model CPU errors by Poisson distribution density mass function and to draw graph of Poisson events (needs Matplot, SciPy, PysimpleGUI and NumPy) by Santhosh Kumar Rajamani (13023678)

Example of landmark registration to align ‘peaks’ of high density in the probability density function (PDF) of CD4 expression on blood T cells for a target distribution and chosen... by Ross J. Burton (10941910)

The optimal solution set of NYN by using different algorithms. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

The optimal solution set of HN by using different algorithms. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density. by Hassan Mehboob (8960273)

“…<p>A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.…”

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”

Taming Negative Ion Resonances Using Nonlocal Exchange-Correlation Functionals by Abhisek Ghosal (762577)

Subjects:

Practical rules for summing the series of the Tweedie probability density function with high-precision arithmetic by NELSON L. DIAS (8078003)

“…With these practical rules, simple summation algorithms provide sufficiently robust results for the calculation of the density function and its definite integrals. …”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces by T. Tchakoua (7202804)

Subjects:

Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions by Klára Petrov (19251734)

Subjects:

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…Kohn–Sham density functional theory (KS-DFT) has become a cornerstone for studying the electronic structure of molecules and materials. …”

Probability density functions (PDFs) of the simulated surveillance noise. by Sandor Beregi (22177739)

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms by Saadiallakh Normatov (20682324)

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms by Saadiallakh Normatov (20682324)

Verification of the in-line PS function. by Raul Castañeda (13932971)

Available functions in the utility package. by Raul Castañeda (13932971)

Available functions in the phase-shifting package. by Raul Castañeda (13932971)

Available functions in the numerical propagation package. by Raul Castañeda (13932971)

Available functions in the phase reconstruction package. by Raul Castañeda (13932971)