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
-
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 -
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client–server model
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding level
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
DeePMD-kit v2: A software package for deep potential models
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
Automatic differentiation for orbital-free density functional theory
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-)system + bath dynamics
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
SchNetPack 2.0: A neural network toolbox for atomistic machine learning
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
PyQMC: An all-Python real-space quantum Monte Carlo module in PySCF
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
MBX: A many-body energy and force calculator for data-driven many-body simulations
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package
American Institute of Physics | 2023|Keywords: Chemical Physics Software -
Machine learning interatomic potential for silicon-nitride (Si3N4) by active learning
Free accessAmerican Institute of Physics | 2023|Keywords: Chemical Physics Software -
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
PolyODENet: Deriving mass-action rate equations from incomplete transient kinetics data
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
Fast estimation of ion-pairing for screening electrolytes: A cluster can approximate a bulk liquid
American Institute of Physics | 2022|Keywords: Chemical Physics Software -
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions
Free accessAmerican Institute of Physics | 2022|Keywords: Chemical Physics Software -
Scalable generalized screening for high-order terms in the many-body expansion: Algorithm, open-source implementation, and demonstration
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.