•Computational Science is the application of computational and numerical techniques to solve large and

complex problems. It involves the use of computing hardware, networking, algorithms, programming,
databases and other domain-specific knowledge to design simulations of physical phenomena to run
computers.

Uses of Computational Science

It turned difficult and complex project into a simple one. It allows us to build models that can be used in
predictions. It allows us to have experimental computational techniques. (chemical reaction, volcanic
eruption, pharmacology animal testing)

What is Computational Science?

Computational Science is an interdisciplinary approach to the solution of complex problems that uses
concepts and skills from the discipline of science, computer science and mathematics. It also known as
the study of various phenomenon methodology.

The four fundamental cornerstones of computational thinking

• The first component of Computational Thinking is Decomposition. • This stage involves breaking the
problem down into smaller components so they can be tackled easier.

• The more you can break a problem down, the easier it is to solve.

• The second stage is Pattern Recognition whereby similarities and trends are identified within the
problem. • If some problems are similar in nature (both within the current problem being tackled or
within past problems), there is a good chance that they can be solved using similar, or repeated
techniques.

• The penultimate stage is Abstraction which involves the identification of key components of the
solution.

• It requires the ability to filter out unnecessary elements of a problem so that you only focus on the
important elements. • Prior to creating a building, an architect may want to present their design as a
scaled down model. • This model will include all the key design elements that will be included within the
final building. • Any adjustments or additions can be discussed with clients at this stage before building
work begins. • Abstraction allows you to consider all the key components prior to the creation of the
final solution, while ignoring any unnecessary details.

• The final stage within the Computational Thinking process is Algorithm Design whereby a detailed
step-by-step set of instructions are created which explain how to solve the problem. • The measure of a
good algorithm is one that can be passed to someone else to follow without the need for any extra
explanation.

The 8 Key Concepts of Computational Thinking

Computational science is a triple junction of 1.algorithm development and analysis 2. high performance
computing 3. applications to scientific and engineering and data science

Inclusion of Learning Computational Science

• New methods that make challenging problems tractable • Develop tools to find trend with datasets •
Change the future of computer simulations • Combining insights with mathematical tools and
computational skills • Ignite new transformational connections in research and education.

Computational Thinking Evaluation Techniques

1. Reflection
2. Coding
3. Designing
4. Analyzing
5. Applying

Computational Modeling

• Computational modeling is the use of computers to simulate and study complex systems using
mathematics, physics and computer science.

• Computer modeling allows scientists to conduct thousands of simulated experiments by computer. •

The thousands of computer experiments identify the handful of laboratory experiments that are most
likely to solve the problem being studied.

A computational model contains numerous variables that characterize the system being studied.
Simulation is done by adjusting the variables alone or in combination and observing the 'outcomes.

How is computational modeling used to study complex systems?

Weather forecasting models

Flight simulators

Earthquake

Modeling Modeling is the application of methods to analyze complex, real-world problem in order to
make predictions about what might happen with various actions.
Model Classification

Stochastic model

Static model and dynamic model

Continuous model and discrete model

Aggregate and individual model

Stochastic Model

• Stochastic Model represents a situation where uncertainty is present. • It is a model for a process that
has some kind of randomness. •The word stochastic comes from the Greek word stokhazesthai meaning
to aim or guess.

Stochastic Model

• It means random, so a "stochastic process" could be simple called random process. •A system exhibits
probabilistic, or stochastic, behavior if an element of chance exists. Otherwise, the system exhibits
deterministic behavior. A probabilistic, or stochastic, model exhibits random effects, while a ,1
deterministic model does not.

Stochastic models have the following common:

•They reflect all aspects of the problem being studied • Probabilities are assigned to events within the
model •Those probabilities can be used to make predictions or supply other relevant information about
the process.
Deterministic Model

In deterministic models, the output of the model is fully determined by the parameter values and the
initial conditions.

A deterministic model allows you to calculate a future event exactly, without the involvement of
randomness. If something is deterministic, you have all of the data necessary to predict (determine) the
outcome with certainty.

A static model does not consider time, while dynamic model changes with time.

Dynamic: state variables change over time (System Dynamics, Discrete Event, Agent-Based,
Econometrics?)

Static: snapshot at a single point in time (Monte Carlo simulation, optimization models, etc.)

Continuous Model and Discrete Model

In a continuous model, time changes continuously, while in a discrete model, time changes in
incremental steps.

• Discrete model: the state variables change only at a countable number of points in time. These points
in time are the ones at which the event occurs/change in state. •Continuous: the state variables change
in a continuous way, and not abruptly from one state to another (infinite number of states).

Aggregate model: we look for a more distant position. Modeler is more distant. Policy model. This view
tends to be more deterministic. Individual model: modeler is taking a closer look of the individual
decisions. This view tends to be more stochastic

Steps in Modelling Process 1. Analyze the problem 2. Formulate the model a. Gather data b. Make
simplifying assumptions and document them c. Determine the variable and units d. Establish
relationships among variables and sub models e. Determine equations and functions

3. Solve the Model 4. Verify ad interpret the model solution 5. Report on Model a. Analysis of the
problem b. Model Design c. Model Solution d. Results and conclusions

6. Maintain the model