Dft simulations - PowerPoint PPT Presentation


Evaluation of CORDEX Experiment in South Asia using RegCM5

This study analyzes the CORDEX Evaluation Experiment in South Asia through dynamical downscaling using RegCM5 based on ERA5 data. It highlights the need for more RCM simulations in the region, showcases the use of ICTP.RegCM5, describes the dynamics and physics options in the evaluation simulation,

0 views • 8 slides


Insights on Fragment Spin Generation in Fission: What We Know

Considerable insight was generated from a recent conference on fission, shedding light on crucial theoretical and experimental aspects. Key topics include angular momentum, fission-fragment spin references, and the dynamics of nuclear fission. Theoretical advancements like the TDSLDA model and super

3 views • 41 slides



Predictive DFT Mixing: Successes and Opportunities in Materials Science

Laurie Marks from Northwestern University discusses the successes and opportunities in predictive DFT mixing, focusing on the advancements in density functional theory, fixed-point solvers, and the approach taken in physics and pragmatism. The presentation includes insights on the applications of DF

2 views • 52 slides


IEEE 802.11 and Bluetooth Coexistence Simulations: Assumptions and Models

This document presents simulations on the coexistence of IEEE 802.11 (Wi-Fi) and Bluetooth technologies in the 5.945GHz to 6.425GHz spectrum. It explores various assumptions and models, including spectrum usage, channelization, scenario setups for Bluetooth and Wi-Fi links, and the capabilities of b

6 views • 54 slides


Understanding Different Types of Scripts in HEC-ResSim

Explore the two main categories of scripts in HEC-ResSim - scripts executed outside simulations and scripts executed during simulations. Learn about the functions and properties of each type, including scripted rules and state variable scripts. Discover how these scripts compute flow limits, store m

6 views • 23 slides


Training Requirements and Implementation Project Overview

This document outlines the training requirements and implementation steps for the Special Implementation Project in AIDC Bangkok. It covers general steps for developing simulations and procedures, specific training needs for ATCOs, FDOs, ATSEPs, and other staff, as well as understanding system roles

0 views • 8 slides


Clinical Excellence in Nursing: SCENS Simulations for Disruptive Behavior Management

SCENS provides simulations focusing on Prevention and Management of Disruptive Behavior (PMDB) in nursing services, emphasizing safety protocols and effective communication. The training covers early signs of escalating behavior, stress levels recognition, and interventions to handle disruptive situ

0 views • 19 slides


Understanding Scripting in HEC-ResSim

Explore the two categories of scripts in HEC-ResSim - executed outside simulations and during simulations. Learn about static scripts for pre-processing, running simulations, and post-processing, along with the tools like Script Selector and Script Editor for script execution and editing.

0 views • 34 slides


Understanding Tariff Reform Simulations Using UTAS

This presentation introduces tariff reform simulations using UTAS in the context of the car economy example. It covers how tariffs on imported goods impact production costs and effective protection of domestic industries. Key concepts such as output tariff, upstream tariff, and effective protection

0 views • 15 slides


Understanding Lattice Constants in Materials Using DFT Calculations

Using Density Functional Theory (DFT) calculations, we explore how to determine the lattice constant of simple cubic, face-centered cubic (fcc), and hexagonal close-packed (hcp) materials. By fitting numerical data and analyzing energy considerations, we predict lattice constants for various metal s

0 views • 17 slides


Understanding Density Functional Theory in Chemistry

Density Functional Theory (DFT) plays a crucial role in chemistry by uniquely determining molecular properties based on electron density. The Hohenberg-Kohn Theorem establishes the foundation, with the goal of finding an exact energy functional expressed in terms of density. Various concepts like th

0 views • 19 slides


Efficient Solver Techniques in CFD Simulations

This resource provides insights into the segregated solver approach in computational fluid dynamics (CFD) simulations, specifically focusing on the sweeping direction and its impact on computational efficiency and convergence rates. It discusses the benefits of employing the XY plane for 2D cases to

0 views • 50 slides


Understanding Numerical Integration in Density Functional Theory (DFT)

The application of numerical integration techniques in Density Functional Theory (DFT) is crucial for solving the Eigenvalue Problem and evaluating energy functionals. This involves partitioning integrals, approximating integrals at atomic centers, defining partition functions, and ensuring cell fun

0 views • 15 slides


Linearly Transformed Discretization Schemes for Plasma Simulations

Addressing the computational challenge of CO2 decomposition with plasmas, this study focuses on developing advanced discretization schemes and modern iterative linear solvers to ensure physical invariants are respected. The research explores the use of chemical invariants to simplify complex systems

0 views • 22 slides


Cutting-Edge TPC Simulation Techniques at Budker INP & NSU

Cutting-edge TPC simulation techniques implemented by researchers at Budker INP and NSU include framework implementations, event displays, background simulations, track distortions, and gas medium simulations. Researchers like Andrey Sokolov, Lev Shekhtman, Vijayanand KV, and Timofey Maltsev have co

0 views • 15 slides


Interactive Science Simulations by PhET - Engaging Learning Experiences

Explore PhET Interactive Simulations founded by Nobel Prize physicist Carl Wieman, offering over 120 interactive simulations across various scientific disciplines. From Energy Skate Park to Molecule Shapes, these simulations provide engaging, game-like experiences for students and scientists alike.

0 views • 13 slides


Quantum Circuit Simulations and Electromagnetic Analyses in Quantum Photonics

Explore the world of quantum photonics with insights into two-qubit photon counters, jointed cavities, qubit pads, and quantum circuit simulations. Ansys simulations and experimental data by researchers Alessandro D'Elia and Claudio Gatti provide in-depth analysis of quantum phenomena. Discover the

0 views • 7 slides


Understanding Density Functional Theory in Computational Chemistry

Dive into the formalism and applications of Density Functional Theory (DFT) through a comprehensive review of basic theory, equations, and numerical implementations. Explore concepts like Time-Dependent DFT (TDDFT) and Linear Response formalism, and discover its applications in studying plasmons, co

0 views • 26 slides


Insights into Summer 2017 Climate Variations and Heatwave Events

Climate research using climate reconstructions and model simulations for summer 2017, focusing on heatwave periods and temperature anomalies. Observations from instrumented sites and atmospheric soundings were utilized to analyze air temperature, soil moisture, and radiation. The study highlights th

0 views • 22 slides


CLIC Start-to-End Simulations Overview

Review of CLIC start-to-end simulations including main simulation codes, past results, and upcoming work. Focus on realistic performance assessments, tolerance evaluations, emittance transport, mitigation techniques, operational scenarios, luminosity studies, and tools used. Detailed information pro

0 views • 12 slides


Active Travel Program for Parents in Leicester: A Success Story

Sara Coy, Active Travel Training Coordinator, initiated the Walk Leicester Project funded by DfT. The program encourages parents to walk more, reach 10,000 steps/day, and explore local routes. The project includes group walks, free pedometers, and volunteer-led sessions, resulting in improved physic

0 views • 7 slides


Utah Valley University - Virtual Reality Implementation for Nanotechnology Education

Utah Valley University (UVU) introduces a nanotechnology course this fall, leveraging VR simulations to train students in nanofabrication and characterization techniques such as photolithography, electron beam lithography (EBL), sputtering, and microscopy. The VR simulations help students familiariz

0 views • 8 slides


Overview of RNMRTK Software for NMR Data Processing

Rowland NMR Toolkit (RNMRTK) is a comprehensive software platform primarily used for NMR data processing tasks such as running MaxEnt, apodization, DFT processing, linear prediction, and more. It offers a robust set of tools for various processing needs and supports efficient parallel processing. RN

0 views • 17 slides


Analysis of Cloud-Resolving Simulations Over Complex Terrain

Examining cloud-resolving simulations of moist convection over complex terrain using large eddy simulation (LES) and deep convective fluxes. The study includes characteristics of the simulations, numerical convergence, and turbulent diffusion. Results reveal insights into the behavior of convective

0 views • 20 slides


R&D and Simulations on Gain Stability and IBF for ALICE GEM-TPC Upgrade

The research and development efforts, along with simulations, focus on enhancing gain stability and addressing issues related to Ion Back Flow (IBF) for the ALICE GEM-TPC upgrade. Detailed outline, status updates, and major challenges are discussed, highlighting the significance of the upgrade for i

0 views • 24 slides


The Evolution of Virtual Certification in NSA Perspective

The journey towards virtual certification, as seen through the lens of an NSA, involves navigating expensive, time-limited, and location-limited processes. The classic process involves safety demonstrations, risk analysis, and virtual simulations, highlighting the advantages and drawbacks of testing

0 views • 11 slides


Applications of Density Functional Theory (DFT) in Various Fields

Density Functional Theory (DFT) is a powerful computational tool used in various scientific fields to understand complex chemical and physical phenomena. This theory allows for detailed analysis and prediction of material properties, reactions, and structures at the atomic level. Through the example

0 views • 55 slides


Understanding GPU-Accelerated Fast Fourier Transform

Today's lecture delves into the realm of GPU-accelerated Fast Fourier Transform (cuFFT), exploring the frequency content present in signals, Discrete Fourier Transform (DFT) formulations, roots of unity, and an alternative approach for DFT calculation. The lecture showcases the efficiency of GPU-bas

0 views • 40 slides


Advanced Imaging Simulations for Hadrontherapy and PET Procedures

Explore advanced FLUKA in-beam PET simulations and Hadrontherapy activity-based generator for precise treatment planning. Speed up simulations using cloud computing and bias activity-based generators for faster workstation processing. Understand components needed for hadrons treatment simulation, in

0 views • 11 slides


Solution to I/Q Imbalance in OFDM Systems

OFDM modulation, widely used in communication systems like IEEE 802.11, suffers from I/Q Imbalance (IQI), impacting performance. This document proposes a robust solution called I-Q Decoupled OFDM (DC-OFDM), where independent data sets generate real (I) and imaginary (Q) signals, mitigating IQI effec

0 views • 24 slides


Projectile Target Simulation with MATLAB

Explore three challenging problems involving projectile simulations with MATLAB. Step-by-step solutions are provided to create simulations, determine optimal parameters, utilize animated lines for trajectory visualization, and incorporate drag force equations. Enhance your MATLAB skills in projectil

0 views • 4 slides


Overview of Rowland NMR Toolkit (RNMRTK) Features and Functions

Originally developed as a platform for creating NMR data processing methods, Rowland NMR Toolkit (RNMRTK) is now widely used for general processing. It offers a variety of functions including apodization, DFT processing, linear prediction, MaxEnt reconstruction, and more. It is free for academic use

0 views • 17 slides


Insights into Games, Simulations, and Learning Environments

Discover the multifaceted aspects of games, simulations, and learning through a comprehensive exploration of their characteristics, purposes, and applications. From the elements that make games engaging to the utility of simulations in replicating real-world scenarios, this content delves into the d

0 views • 79 slides


GangES: Gang Error Simulation for Hardware Resiliency Evaluation

GangES introduces a new error simulator to expedite full error simulations for assessing hardware resiliency. By reducing the number of simulations and leveraging program structure, it achieves significant time savings over existing methods. Additionally, the study explores the feasibility of progra

0 views • 38 slides


Califa Simulations and Experimental Observations in Nuclear Physics Research

Exploring nuclear physics research through Califa simulations and experimental observations with a focus on PID gating, clustering algorithms, beam settings, and Ca isotopes chain gating. The study involves simulating events on CH2 targets, analyzing clustering effects, and observing opening angles

0 views • 10 slides


Understanding Lithium Ion Conduction in Li2(OH)Cl Through DFT Simulations

DFT simulations were conducted on the lithium ion conductor Li2(OH)Cl to investigate its low and high-temperature phases. The motivation behind the study was to uncover the structural features impacting the phase transition and diffusion properties of the material. The background highlighted two pha

0 views • 16 slides


Understanding Sample Size Parameters in Pet Product Studies

This set of additional slides delves into the main parameters used in simulations for determining sample sizes in pet product studies. It covers the methods of simulations, statistical support, new simulations, resulting sample sizes, variations between animals and days, and the rationale behind spe

0 views • 11 slides


Magnetic Behavior in Two-Dimensional Molecule-Based Magnets

Understanding the magnetic behavior in two-dimensional molecule-based magnets with S=2 spins, exploring MnF3(pyz) with Jahn-Teller elongated Mn(III) octahedra, and discussing the crossover between classical and quantum regimes. The research involves DFT calculations for 1D antiferromagnetic systems,

0 views • 8 slides


Cooley-Tukey Decimation in Time Algorithm

Explore the Cooley-Tukey decimation-in-time algorithm for computing the Discrete Fourier Transform efficiently. Understand how the algorithm splits the DFT computation into smaller parts and realize the benefits in terms of reduced number of multiplications. Dive into signal flowgraph notation for a

0 views • 12 slides


Understanding Fast Fourier Transform (FFT) in Signal Processing

Fast Fourier Transform (FFT) is a powerful algorithm used in signal processing to efficiently calculate the Discrete Fourier Transform (DFT). This advanced technique leverages symmetry and periodicity properties to reduce computational complexity, making it a key tool in digital signal analysis. By

0 views • 14 slides