ions 开源项目推荐（31 个）

simongravelle /lammps-input-files

LAMMPS 输入和数据文件

lmmentel /mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

mims-harvard /ATOMICA

Learning Universal Representations of Intermolecular Interactions with ATOMICA

Eben60 /Mendeleev.jl

A Julia package for accessing chemical elements data.

softmaterialslab /nanoconfinement-md

This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.

mqcomplab /SIE_descriptors

quantifying specific ion effects through charge transfer models

saagarjha /ions

List of ions for 68k TI calculators

GrimReaper2654 /Chemistry-Revision

Just something for me to practive chemistry

fill-10 /hop_lmp

ion hopping mechanism for pdb and lammps trj

Theozeud /AtomicKohnSham

Solver to compute the groundstate of atoms and ions formulated in the Extended-Kohn-Sham framework.

alec-glisman /Polyelectrolyte-Surface-Adsorption

PLUMED-patched GROMACS molecular dynamics simulations repository used for my anti-scaling research project in the Wang Group.

OpticsFoundry /Vision_AQuRA

Simple camera data acquisition and analysis software, compatible with OpticsFoudnry Control, and used to bootstrap the AQuRA clock, www.AQuRAClock.eu.

Karim-Ib /MD_Lammps_analysis

Package used in my master thesis to analyze the behaviour of H3O and OH ions in water, with a focus on the recombination process.

sahaua /pkaESSRIM

The pkaESSRIM program

aibolem /sansona

In-progress website for use as a chemistry learning resource.

scienceisjo /ionlife

이온 시뮬레이션(생각의 릴레이)

scienceisjo /ionicmovement

전기장 속 이온의 이동

kellylynnboyle /Chemistry

10th Grade Chemistry — Chapter 17: Ions & Ionic Bonding study materials

barionleg /text_general-chemistry-principles-patterns-and-applications-v1.0

General Chemistry: Principles, Patterns, and Applications, v1.0

scienceisjo /ioncharge

이온의 이동 실험