dftcalculations - わかめtube

What is Density Functional Theory (DFT)

Microsoft Research

What is Density Functional Theory (DFT)

6 months ago - 4:41

Introduction to Density Functional Theory [Part One] Background

Introduction to Density Functional Theory [Part One] Background

4 years ago - 18:22

Density Functional Theory (DFT) Calculations Made Easy

Density Functional Theory (DFT) Calculations Made Easy

3 years ago - 8:52

DFT Calculations Using ORCA (Freeware): Installation, Calculations and Analysis ||Dr. Gaurav Jhaa

Quantum Guru Ji

DFT Calculations Using ORCA (Freeware): Installation, Calculations and Analysis ||Dr. Gaurav Jhaa

10 months ago - 25:03

How to perform Energy DFT calculation & how to draw HOMO-LUMO in Gauss view using Gaussian?

Chemical Science Teaching

How to perform Energy DFT calculation & how to draw HOMO-LUMO in Gauss view using Gaussian?

2 years ago - 8:43

DFT calculations online on Aitomistic Hub!

DFT calculations online on Aitomistic Hub!

1 year ago - 0:29

Setting up VASPKIT for DFT calculations (Emil Jaffal)

Materials Informatics Tutorials from Oliynyk Lab

Setting up VASPKIT for DFT calculations (Emil Jaffal)

6 months ago - 10:29

How to Run DFT Calculations of Nanoparticles with ORCA | Free Software & Gaussian Alternative

How to Run DFT Calculations of Nanoparticles with ORCA | Free Software & Gaussian Alternative

2 months ago - 26:16

Interrogating homoleptic cuprates in trifluoromethylation: merging experiments and DFT calculations

Ángel Luis Mudarra Alonso

Interrogating homoleptic cuprates in trifluoromethylation: merging experiments and DFT calculations

6 years ago - 1:51

Setting up TD-DFT Calculations

Setting up TD-DFT Calculations

5 years ago - 3:12

2.5: pseudopotentials for high-throughput DFT calculations (K. Garrity)

2.5: pseudopotentials for high-throughput DFT calculations (K. Garrity)

6 years ago - 12:47

Application of DFT Calculations in NMR Spectroscopy

Application of DFT Calculations in NMR Spectroscopy

1 year ago - 2:03:04

How to perform TD DFT calculation in Gaussian

Quantum Guru Ji

How to perform TD DFT calculation in Gaussian

1 year ago - 8:20

INTERACTION BETWEEN Au₁₃ NANOCLUSTER AND TETRODOTOXIN: DFT CALCULATIONS

Adrián Hernández Nájera

INTERACTION BETWEEN Au₁₃ NANOCLUSTER AND TETRODOTOXIN: DFT CALCULATIONS

2 years ago - 3:19

Density-Functional Theory (DFT) : three non-technical explanations

Stefaan Cottenier: lectures and talks

Density-Functional Theory (DFT) : three non-technical explanations

10 years ago - 47:21

Atomic DFT calculations with Minushalf CLI

Prof. Ivan Guilhon

Atomic DFT calculations with Minushalf CLI

3 years ago - 23:16

DFT Made Simple: Step-by-Step Guide for Beginners

Bioinformatics Insights

DFT Made Simple: Step-by-Step Guide for Beginners

11 months ago - 43:05

Real-time Time-Dependent DFT Calculations: Part 1 Lectured by Dr. Noejung Park

QCHEM LAB at KNU

Real-time Time-Dependent DFT Calculations: Part 1 Lectured by Dr. Noejung Park

4 years ago - 16:46

FEM@LLNL | Fast, Accurate and Large-scale Ab-initio Calculations for Materials Modeling

Inside Livermore Lab

FEM@LLNL | Fast, Accurate and Large-scale Ab-initio Calculations for Materials Modeling

2 years ago - 1:12:43

Basics of performing DFT calculations with Q-Chem

Basics of performing DFT calculations with Q-Chem

2 years ago - 1:25:22

21: Mikkel Strange - Estimating and controling numerical errors on DFT calculations

21: Mikkel Strange - Estimating and controling numerical errors on DFT calculations

7 years ago - 26:01

DFT Calculations and CALPHAD Modeling (2021 04 14, ULTERAs, Shun-Li Shang)

Dr. Liu's Zentropy, Cross Phenomena & TKC Theories

DFT Calculations and CALPHAD Modeling (2021 04 14, ULTERAs, Shun-Li Shang)

4 years ago - 29:15

Webinar 8: Minnesota Exchange-Correlation Functionals for DFT Calculations with Q-Chem

Webinar 8: Minnesota Exchange-Correlation Functionals for DFT Calculations with Q-Chem

12 years ago - 56:12

DFT Analysis Using Gaussian & GaussView: HOMO-LUMO, Optimization, Frequencies & UV-Vis Analysis

DFT Analysis Using Gaussian & GaussView: HOMO-LUMO, Optimization, Frequencies & UV-Vis Analysis

5 months ago - 32:34

10 Ways to Speed Up Density Functional Theory (DFT) Calculations

Materials Studio Zone

10 Ways to Speed Up Density Functional Theory (DFT) Calculations

8 months ago - 6:37

Computational Chemistry Presentation: DFT Calculations and Molecular dynamic simulations

Computational Chemistry Presentation: DFT Calculations and Molecular dynamic simulations

4 years ago - 9:38

DFT Calculations for the Metal-free Isomerization of Polyenol Ethers

DFT Calculations for the Metal-free Isomerization of Polyenol Ethers

5 years ago - 9:31

Electronic Properties of FeSexTe(1-x) compounds from DFT calculations - 32nd IMRC 2024.

Fernando Jesús Méndez de la Cruz

Electronic Properties of FeSexTe(1-x) compounds from DFT calculations - 32nd IMRC 2024.

1 year ago - 9:18

DFT Calculations| DFT with Mac Tutorials (Tutorial-01)

The GAMESSINO AAK

DFT Calculations| DFT with Mac Tutorials (Tutorial-01)

3 years ago - 17:41

DFT calculations of polydopamine and caffeine molecules using the software Gaussian 09

DFT calculations of polydopamine and caffeine molecules using the software Gaussian 09

6 years ago - 0:20

Zinhle Mtshali - Density Functional Theory calculations

Zinhle Mtshali - Density Functional Theory calculations

3 years ago - 3:52

How to do dft calculations?

How to do dft calculations?

2 years ago - 1:28

Real-time Time-Dependent DFT Calculations: Part 2 Lectured by Dr. Noejung Park

QCHEM LAB at KNU

Real-time Time-Dependent DFT Calculations: Part 2 Lectured by Dr. Noejung Park

4 years ago - 17:21

Understanding CP2K Input Files for DFT Calculations | Numerical Algorithms Explained

Understanding CP2K Input Files for DFT Calculations | Numerical Algorithms Explained

3 months ago - 37:21

TD DFT Calculation (UV-Vis) using Gaussian Software

Physical Concepts - مفاهيم فيزيائية

TD DFT Calculation (UV-Vis) using Gaussian Software

4 years ago - 8:02

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