Year of publication
Type of media
Source
Subject
Type of material
Licence
Language
Synonyms were used for: Physics
Search without synonyms: keywords:(Physics)
Used synonyms:
- physik
-
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Free accessAmerican Institute of Physics | 2021|Keywords: Chemical Physics Software -
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
American Institute of Physics | 2021|Keywords: Chemical Physics Software -
GQCP: The Ghent Quantum Chemistry Package
American Institute of Physics | 2021|Keywords: Chemical Physics Software -
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
REANN: A PyTorch-based end-to-end multi-functional deep neural network package for molecular, reactive, and periodic systems
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
DQC: A Python program package for differentiable quantum chemistry
Free accessAmerican Institute of Physics | 2022|Keywords: Chemical Physics Software -
MB-Fit: Software infrastructure for data-driven many-body potential energy functions
American Institute of Physics | 2021|Keywords: Chemical Physics Software -
AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials
American Institute of Physics | 2021|Keywords: Chemical Physics Software -
Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCG
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
MacroQC 1.0: An electronic structure theory software for large-scale applications
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework
Free accessAmerican Institute of Physics | 2021|Keywords: Chemical Physics Software -
Alchemical geometry relaxation
Free accessAmerican Institute of Physics | 2022|Keywords: Chemical Physics Software -
Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes
Free accessAmerican Institute of Physics | 2022|Keywords: Chemical Physics Software -
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
Machine-learned acceleration for molecular dynamics in CASTEP
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
AL4GAP: Active learning workflow for generating DFT-SCAN accurate machine-learning potentials for combinatorial molten salt mixtures
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar
American Institute of Physics | 2023|Keywords: Chemical Physics Software
Send my search to (beta)
Send your search query (search terms without filters) to other databases, portals and catalogues to find more interesting hits.
Dimensions is a database for abstracts and citations that links information on research funding with the resulting publications, studies and patents.
In the TIB AV-Portal, audiovisual media from science and teaching can be foundand own scientific videos can be published.
The FID move can be used to search for subject-specific literature, research data and other information from mobility and transport research.
The Open Research Knowledge Graph provides structured descriptions of research content and makes it comparable.
Freely accessible part of the collaborative K10plus catalogue with materials relevant for interlibrary loan and direct delivery services.