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PySCF
Free and Open Source Software for Computational Chemistry Education
Core Software Blocks in Quantum Chemistry: Tensors and Integrals Workshop Program
Pyscf: the Python-Based Simulations of Chemistry Framework
Trends in Atomistic Simulation Software Usage [1.3]
Lawrence Berkeley National Laboratory Recent Work
Openmolcas: from Source Code to Insight Ignacio Fdez
Arxiv:2006.14956V1 [Physics.Comp-Ph]
Efficient Open-Source Implementations of Linear-Scaling
Open Source Molecular Modeling
The University of Chicago Electronic Correlation In
Arxiv:2002.12531V2 [Physics.Chem-Ph] 11 Jul 2020
Openmolcas: from Source Code to Insight Ignacio Fdez
Toward Quantum-Chemical Method Development for Arbitrary Basis Functions Michael F
Electronic Structure of Molecules and Materials from Quantum Simulations
WHAT INFLUENCE WOULD a CLOUD BASED SEMANTIC LABORATORY NOTEBOOK HAVE on the DIGITISATION and MANAGEMENT of SCIENTIFIC RESEARCH? by Samantha Kanza
Efficient Evaluation of Exact Exchange for Periodic Systems Via
Qcjsonschema Documentation
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
Top View
The Ranked-Orbital Approach to Selecting Active Spaces
The Python-Based Simulations of Chemistry Framework (Pyscf)
From Nwchem to Nwchemex: Evolving with the Computational
S.A. Raja Pharmacy College Vadakkangulam-627 116
Isurvey - Online Questionnaire Generation from the University of Southampton
An Open-Source C++ and Python Library for Polarizable Embedding
Development of Explicitly Correlated and Many-Body Diagrammatic Techniques for the Investigation of Electron-Hole Correlation in Nanomaterials
Methods for the Electronic Structure of Large Chemical Systems Hong-Zhou Ye
Arxiv:1905.02631V4 [Physics.Comp-Ph] 18 Jul 2020 Lenz Fiedler’S Master’S Thesis,13 and the Code Is Freely with High Angular Momentum
Automated Construction of Molecular Active Spaces from Atomic Valence
Report on Enabling the Quantum Leap
A Review on Non-Relativistic, Fully Numerical Electronic Structure Calculations on Atoms and Diatomic Molecules
Arxiv:2002.12531V1 [Physics.Chem-Ph] 28 Feb 2020
The CECAM Electronic Structure Library and the Modular Software Development Paradigm
Sajjan Uchicago 0330D 14549.Pdf
Performance Optimizations for Quantum Chemistry Calculations
Recent Developments in the Pyscf Program Package
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State up † ‡ ¶ § ◆ ¶ ◆ ¶ ◆ ¶ ◆ James S