CASTEP - Docslib

Sign Up
Log In
Upload

Sign Up
Log In
Upload

Home
» Tags
» CASTEP

CASTEP

EPSRC Service Level Agreement with STFC for Computational Science Support
Arxiv:1508.02735V1 [Cond-Mat.Mtrl-Sci] 11 Aug 2015
Interoperability Between Electronic Structure Codes with the Quippy Toolkit
Surface Functionalization of H-Terminated Diamond with NH and NH2 on the (1, 0, 0), (1, 1, 0) and (1, 1, 1) Surface Planes Using Density Functional Theory
Trends in Atomistic Simulation Software Usage [1.3]
Porting the DFT Code CASTEP to Gpgpus
HPC Issues for DFT Calculations
Lawrence Berkeley National Laboratory Recent Work
Quantum Chemical Calculations of NMR Parameters
An Algorithm for Evaluation of Potential Hazards in Research and Development of New Energetic Materials in Terms of Their Detonationballistic and Profiles
The Quixote Project: Collaborative and Open Quantum Chemistry Data Management in the Internet
Quantum Espresso Intro Student Cluster Competition
University of Southampton Research Repository Eprints Soton
A Review on Combination of Ab Initio Molecular Dynamics and NMR Parameters Calculations
Lecture 2: Standard Software and Visualization Tools
Spectral Calculations Withwith DFTDFT
Enhancement of the Figure of Merit of Silicon Germanium Thin Films for Thermoelectric Applications
Periodic DFT Calculations—Review of Applications in the Pharmaceutical Sciences

Top View

Ab-Initio Studies Into Intrinsic Piezoelectric Properties
Thesis Final
Multiscale Materials Modelling Programs
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
Faraday Discussions C8FD90031K
TDDFT As a Tool in Chemistry II
Ab Initio Initio Molecularmolecular Dynamicsdynamics
Self-Consistent Implementation of Meta-GGA Functionals for the ONETEP Linear-Scaling Electronic Structure Package
15 Ab Initio Molecular Dynamics 124 15 Ab Initio Molecular Dynamics
Quantum Chemistry (QC) on Gpus March 2018 Overview of Life & Material Accelerated Apps
GPU: Between Performance, Correctness and Sustainability
Arxiv:2105.05063V1 [Cond-Mat.Mtrl-Sci] 11 May 2021
Electron Energy-Loss Spectroscopy: DFT Modelling and Application to Experiment
Prediction of NMR Parameters in the Solid-State
Jérôme KIEFFER
Accélération De Calculs De Simulations Des Matériaux Sur GPU

© 2024 Docslib.org Feedback