Ing. Jana Pazúriková

Doctoral thesis

Accelerating Chemical Simulation through Model Modification

Accelerating Chemical Simulation through Model Modification
Abstract:
Počítačové modelovanie a simulácie pomáhajú výskumu v mnohých oblastiach vedy. Ponúkajú nový uhol pohľadu pre teórie a nové možnosti pre experimenty, čo využívajú predovšetkým prírodné vedy. V oblasti simulácií chemických procesov je nesmierne užitočnou výpočetnou metódou molekulová dynamika. V jej simuláciách sa častice pohybujú kvôli svojej potenciálnej a kinetickej energii. Charakter a vlastnosti …more
Abstract:
Computer modeling and simulations have supported research in almost all scientific areas. Especially for life sciences, they offer new insights for thinking and new possibilities for experimenting. One of the most powerful computational methods available in simulations regarding chemical processes is molecular dynamics. In this type of simulations, particles move due to their potential and kinetic …more
 
 
Language used: English
Date on which the thesis was submitted / produced: 12. 9. 2017

Thesis defence

  • Date of defence: 9. 4. 2018
  • Supervisor: prof. RNDr. Luděk Matyska, CSc.
  • Reader: doc. RNDr. Karel Berka, Ph.D., Prof. Dr. Dieter Kranzlmüller

Citation record

Full text of thesis

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Institution archiving the thesis and making it accessible: Masarykova univerzita, Fakulta informatiky

Masaryk University

Faculty of Informatics

Doctoral programme / field:
Informatics (4-years) / Informatics

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