Phys Whiz

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Tutorials on Physics, Computational Material Science, Scientific Computing, and more The tutorials and lectures are developed by physicists holding PhD degrees or senior PhD candidates. Phys Whiz Team: Dr. Manas Sharma, PhD Physics from Friedrich-Schiller University of Jena, Germany Ms. Priyanshi Bhasin, PhD (Physics) candidate at Indian Institute of Science, Bangalore, India Follow us on: Facebook: www.facebook.com/bragitoff Website: www.bragitoff.com Twitter: x.com/CrysXApp Useful links: scholar.google.com/citations?user=WYOEL94AAAAJ&amp… www.linkedin.com/in/manassharma07

Home Videos Live Playlists

Simulating High Harmonic Generation in TURBOMOLE (RT-TDDFT Tutorial)

Simulating High Harmonic Generation in TURBOMOLE (RT-TDDFT Tutorial) Phys Whiz

360 views - 4 months ago

TDDFT UV/Vis Spectra Calculations in TURBOMOLE: LR-TDDFT and RT-TDDFT TUTORIAL

TDDFT UV/Vis Spectra Calculations in TURBOMOLE: LR-TDDFT and RT-TDDFT TUTORIAL Phys Whiz

445 views - 5 months ago

Adsorption Energy of Water on 2D Periodic hBN Monolayer using TURBOMOLE and TmoleX [TUTORIAL]

Adsorption Energy of Water on 2D Periodic hBN Monolayer using TURBOMOLE and TmoleX [TUTORIAL] Phys Whiz

674 views - 7 months ago

TURBOMOLE Tutorial: Silicon Crystal Geometry Optimization, Band Structure and Cohesive Energy

TURBOMOLE Tutorial: Silicon Crystal Geometry Optimization, Band Structure and Cohesive Energy Phys Whiz

598 views - 7 months ago

TURBOMOLE Tutorial: Geometry Optimization and Vibrational Frequency Analysis using TmoleX GUI

TURBOMOLE Tutorial: Geometry Optimization and Vibrational Frequency Analysis using TmoleX GUI Phys Whiz

954 views - 8 months ago

How to train your first ML Interatomic Potential using NequIP? [TUTORIAL 1]

How to train your first ML Interatomic Potential using NequIP? [TUTORIAL 1] Phys Whiz

3.1K views - 1 year ago

How to Download Molecular Structures in Bulk from PubChem Database? [TUTORIAL]

How to Download Molecular Structures in Bulk from PubChem Database? [TUTORIAL] Phys Whiz

2.9K views - 1 year ago

How to model the Copper Cu (110) Surface using BURAI? [TUTORIAL for Beginners]

How to model the Copper Cu (110) Surface using BURAI? [TUTORIAL for Beginners] Phys Whiz

1.1K views - 1 year ago

How to Create a Graphene Monolayer using VESTA? [TUTORIAL]

How to Create a Graphene Monolayer using VESTA? [TUTORIAL] Phys Whiz

5.5K views - 1 year ago

How to Create QUANTUM ESPRESSO Input Files from POSCAR, CIF, extXYZ Files? [TUTORIAL]

How to Create QUANTUM ESPRESSO Input Files from POSCAR, CIF, extXYZ Files? [TUTORIAL] Phys Whiz

2.3K views - 1 year ago

How to model Cu (100) surface with BURAI? [TUTORIAL]

How to model Cu (100) surface with BURAI? [TUTORIAL] Phys Whiz

878 views - 1 year ago

How to model hexagonal boron nitride (hBN) monolayer using VESTA? [TUTORIAL]

How to model hexagonal boron nitride (hBN) monolayer using VESTA? [TUTORIAL] Phys Whiz

4.5K views - 1 year ago

How to Properly Cite VASP in Your Research Papers? [GUIDE]

How to Properly Cite VASP in Your Research Papers? [GUIDE] Phys Whiz

585 views - 1 year ago

How to Place a Water Molecule on Graphene Using VESTA - A Step-by-Step Tutorial

How to Place a Water Molecule on Graphene Using VESTA - A Step-by-Step Tutorial Phys Whiz

7.2K views - 1 year ago

How to calculate CHARGE DENSITY DIFFERENCE using CUBE Files? [TUTORIAL]

How to calculate CHARGE DENSITY DIFFERENCE using CUBE Files? [TUTORIAL] Phys Whiz

2.4K views - 1 year ago

How to convert CIF, POSCAR, XYZ, PWSCF to TURBOMOLE Coord File Format? [TUTORIAL]

How to convert CIF, POSCAR, XYZ, PWSCF to TURBOMOLE Coord File Format? [TUTORIAL] Phys Whiz

278 views - 1 year ago

How to calculate Planar Integrated Electron density from a CUBE file? [TUTORIAL]

How to calculate Planar Integrated Electron density from a CUBE file? [TUTORIAL] Phys Whiz

482 views - 1 year ago

How to calculate RDF using VMD from VASP AIMD Trajectories? [TUTORIAL]

How to calculate RDF using VMD from VASP AIMD Trajectories? [TUTORIAL] Phys Whiz

2K views - 1 year ago

How to visualize Turbomole COORD file? [TUTORIAL]

How to visualize Turbomole COORD file? [TUTORIAL] Phys Whiz

234 views - 1 year ago

How to orthogonalize the unit cell of hBN monolayer? [TUTORIAL]

How to orthogonalize the unit cell of hBN monolayer? [TUTORIAL] Phys Whiz

494 views - 1 year ago

How to pack a unit cell (hBN monolayer) with molecules (water)? [TUTORIAL]

How to pack a unit cell (hBN monolayer) with molecules (water)? [TUTORIAL] Phys Whiz

1.9K views - 1 year ago

How to place an Adsorbate (water) Molecule on hBN Surface? [TUTORIAL]

How to place an Adsorbate (water) Molecule on hBN Surface? [TUTORIAL] Phys Whiz

1K views - 1 year ago

ANIMATION/VIDEO ABSTRACT of my Latest Paper - Optical Gaps of Ionic Materials

ANIMATION/VIDEO ABSTRACT of my Latest Paper - Optical Gaps of Ionic Materials Phys Whiz

572 views - 1 year ago

How to Calculate Cohesive Energy of a Crystal using TURBOMOLE's RIPER module? [TUTORIAL]

How to Calculate Cohesive Energy of a Crystal using TURBOMOLE's RIPER module? [TUTORIAL] Phys Whiz

1K views - 2 years ago

How to Calculate Adsorption Energy using Quantum ESPRESSO and DFT? [TUTORIAL]

How to Calculate Adsorption Energy using Quantum ESPRESSO and DFT? [TUTORIAL] Phys Whiz

14K views - 2 years ago

How to Calculate Cohesive Energy using Quantum Espresso? [TUTORIAL]

How to Calculate Cohesive Energy using Quantum Espresso? [TUTORIAL] Phys Whiz

4.3K views - 2 years ago

How to Calculate BSSE-Corrected Adsorption Energy using TURBOMOLE? [TUTORIAL] (Pt. 2)

How to Calculate BSSE-Corrected Adsorption Energy using TURBOMOLE? [TUTORIAL] (Pt. 2) Phys Whiz

939 views - 2 years ago

How to Calculate Adsorption Energy using RIPER module of TURBOMOLE? [TUTORIAL] (Pt. 1)

How to Calculate Adsorption Energy using RIPER module of TURBOMOLE? [TUTORIAL] (Pt. 1) Phys Whiz

1K views - 2 years ago

How to Calculate & Plot Absorption Spectrum using RT-TDDFT? [TURBOMOLE TUTORIAL]

How to Calculate & Plot Absorption Spectrum using RT-TDDFT? [TURBOMOLE TUTORIAL] Phys Whiz

854 views - 2 years ago

BAND STRUCTURE of MoS2 (2D) layer using TURBOMOLE (RIPER) [TUTORIAL]

BAND STRUCTURE of MoS2 (2D) layer using TURBOMOLE (RIPER) [TUTORIAL] Phys Whiz

1.5K views - 2 years ago

Calculating and Plotting BAND STRUCTURE of SILICON BULK-3D Crystal using TURBOMOLE (RIPER)[TUTORIAL]

Calculating and Plotting BAND STRUCTURE of SILICON BULK-3D Crystal using TURBOMOLE (RIPER)[TUTORIAL] Phys Whiz

1.6K views - 2 years ago

How to run a Periodic DFT calculation using RIPER module of TURBOMOLE? [TUTORIAL]

How to run a Periodic DFT calculation using RIPER module of TURBOMOLE? [TUTORIAL] Phys Whiz

1K views - 2 years ago

CrysX-3D Viewer DEMO: Benzene Molecular Orbital on a Plane

CrysX-3D Viewer DEMO: Benzene Molecular Orbital on a Plane Phys Whiz

394 views - 2 years ago

My Talk at DokDok Lite 2021 on Density Functional Embedding Theory for Excited States

My Talk at DokDok Lite 2021 on Density Functional Embedding Theory for Excited States Phys Whiz

367 views - 3 years ago

Electron Dynamics animation of Tetraphenylporphyrin (TPP) and Zn-TPP dimers via TURBOMOLE & CrysX

Electron Dynamics animation of Tetraphenylporphyrin (TPP) and Zn-TPP dimers via TURBOMOLE & CrysX Phys Whiz

369 views - 3 years ago

Electron Dynamics of Tetraphenylporphyrin and Zinc-Tetraphenylporphyrin via TURBOMOLE (RT-TDDFT)

Electron Dynamics of Tetraphenylporphyrin and Zinc-Tetraphenylporphyrin via TURBOMOLE (RT-TDDFT) Phys Whiz

499 views - 3 years ago

How to perform Molecular Geometry Optimization using RIPER and JOBEX of TURBOMOLE? [TUTORIAL]

How to perform Molecular Geometry Optimization using RIPER and JOBEX of TURBOMOLE? [TUTORIAL] Phys Whiz

1.7K views - 3 years ago

How to run a Molecular DFT calculation using RIPER module of TURBOMOLE? [TUTORIAL]

How to run a Molecular DFT calculation using RIPER module of TURBOMOLE? [TUTORIAL] Phys Whiz

3.3K views - 3 years ago

How to visualize Crystal structure from .CIF in Jmol? [TUTORIAL] #PrimitiveCell #SuperCell

How to visualize Crystal structure from .CIF in Jmol? [TUTORIAL] #PrimitiveCell #SuperCell Phys Whiz

3.1K views - 3 years ago

My Talk at ETSF 2022 on Density Functional Embedding Theory for Excited States

My Talk at ETSF 2022 on Density Functional Embedding Theory for Excited States Phys Whiz

781 views - 3 years ago

My Award Winning Talk at EMRS 2021 (Fall) on Density Functional Embedding Scheme

My Award Winning Talk at EMRS 2021 (Fall) on Density Functional Embedding Scheme Phys Whiz

1K views - 3 years ago

Electron Dynamics of Resonant Excitation of Water molecule using RT-TDDFT (Animation)

Electron Dynamics of Resonant Excitation of Water molecule using RT-TDDFT (Animation) Phys Whiz

1.9K views - 3 years ago

MOLECULAR ORBITALS and DENSITY Plotting using RIPER (TURBOMOLE) - [TUTORIAL]

MOLECULAR ORBITALS and DENSITY Plotting using RIPER (TURBOMOLE) - [TUTORIAL] Phys Whiz

2.2K views - 4 years ago

How to convert a basis set from one format to another? [TUTORIAL]

How to convert a basis set from one format to another? [TUTORIAL] Phys Whiz

941 views - 4 years ago

PROBABILITY of RANDOM walkers MEETING on a 2D grid - [EXPLAINED]

PROBABILITY of RANDOM walkers MEETING on a 2D grid - [EXPLAINED] Phys Whiz

781 views - 5 years ago

VISUALIZING FOURIER Series in ACTION | PYTHON Simulation / ANIMATION

VISUALIZING FOURIER Series in ACTION | PYTHON Simulation / ANIMATION Phys Whiz

5.1K views - 5 years ago

PERIODIC function in PYTHON | ANIMATED VISUALIZATION

PERIODIC function in PYTHON | ANIMATED VISUALIZATION Phys Whiz

2K views - 5 years ago

Estimating PI | Monte Carlo Animation | PYTHON Simulation

Estimating PI | Monte Carlo Animation | PYTHON Simulation Phys Whiz

3.1K views - 5 years ago

ANIMATION - BISECTION METHOD | Python Simulation in Action

ANIMATION - BISECTION METHOD | Python Simulation in Action Phys Whiz

2.3K views - 5 years ago

BISECTION Method for ROOT FINDING - Explained with an Example

BISECTION Method for ROOT FINDING - Explained with an Example Phys Whiz

17K views - 5 years ago

How to get a PhD in Germany/Europe? [INDIAN's Perspective]

How to get a PhD in Germany/Europe? [INDIAN's Perspective] Phys Whiz

1.2K views - 5 years ago

Three-Way Duel (Stand-Off) - PROBABILITY Puzzle [SOLUTION]

Three-Way Duel (Stand-Off) - PROBABILITY Puzzle [SOLUTION] Phys Whiz

2.1K views - 5 years ago

SIMULATION - Probability of RANDOM WALKERS meeting on a 4x4 GRID

SIMULATION - Probability of RANDOM WALKERS meeting on a 4x4 GRID Phys Whiz

444 views - 5 years ago

$Simulating X-Ray Diffraction (XRD) pattern using Android app #CrysX$ 1:17

Simulating X-Ray Diffraction (XRD) pattern using Android app #CrysX Phys Whiz

1.5K views - 5 years ago

Fourier Series for SawTooth Wave f(x)=x

Fourier Series for SawTooth Wave f(x)=x Phys Whiz

9K views - 5 years ago

Fourier Coefficients Derivation

Fourier Coefficients Derivation Phys Whiz

18K views - 5 years ago

Fourier Series INTRODUCTION

Fourier Series INTRODUCTION Phys Whiz

4.8K views - 5 years ago

How to create a MOLE object in PySCF? [TUTORIAL #2]

How to create a MOLE object in PySCF? [TUTORIAL #2] Phys Whiz

2.2K views - 5 years ago

How to install PYSCF on UBUNTU using PIP? [TUTORIAL #1]

How to install PYSCF on UBUNTU using PIP? [TUTORIAL #1] Phys Whiz

4.1K views - 5 years ago

Specifying GEOMETRY of MOLECULE in PySCF [TUTORIAL #3]

Specifying GEOMETRY of MOLECULE in PySCF [TUTORIAL #3] Phys Whiz

2.2K views - 5 years ago