GitHub

A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization

This menu provides you an overview of the entire distribution of eigenvalues. These information may assisit you in determining the exclude_bands block in Wannier90 and the outer window dis_win_min and ...
C&EN

A Fast, Convenient, Polarizable Electrostatic Model for Molecular Dynamics

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Article Views are the COUNTER-compliant sum of full text article downloads since ...
GitHub

review_report_claude_fable_r2.md

Numerical methods — passes with remarks Multi-start Nelder-Mead with log-K transform and explicit φ-bounds rejection (returning 1e20) is appropriate for this smooth 2-D problem; Brent's method for the ...
Frontiers

Comprehensive multi-objective optimization framework for sustainable urban flyover design: integrating radial basis function metamodeling and advanced optimization algorithms

Gradient-free methods (Nelder-Mead, Pattern Search) converged reliably but generated fewer non-dominated solutions, serving as useful baselines rather than competitive alternatives. Table 3 summarizes ...