Course Schedule, Exams, Reading and Homework

 

-The course website is at https://gruebele-group.chemistry.illinois.edu/courses/chem-440

-Dates: Check below for dates of all lectures, exams, reviews!

-Lecture: MWF at 11-11:50 AM in 161 Noyes Lab. The title summarizes the lecture content.

-Reading: There is no textbook, full course notes are at the web site, covering O = overview, Q = quantum, S = stat mech & quantum, T = transport and kinetics. For example, “Q1 p1-3” = read Quantum notes Chapter 1, pages 1 through 3.

-BOH: Gruebele ‘Big Office Hours’ and reviews. Generally on Fridays at noon. Gruebele will stick around past noon as long as you get there by then and not all questions have been answered.

-Homework: All homework is listed in the course notes. Solutions are posted already, on the days most closely related to a particular homework problem. Do all homework, but only the green problems must be turned in for grading and credit. Assignments are due at the beginning of the first class of the next week. (e.g. if two green problems are assigned on various days in week 1, both are due on Monday of week 2, but you should also do the remaining problem(s) from the assigned reading).

-Hour exam and final exam questions 80% of questions are modified homework problems, in-class exercises, and thought experiments, listed in the course notes so keep up with all of them every week!

 

Date

Lecture

Reading

BOH

Homework

1/19

L1

The goals of pchem; averages, derivative models

O1 p1-3

 

 

Do O1.1

1/21

L2

Randomness, Bayesian inference

O1 p3-5

 

noon

Do O1.2, O1.3

1/24

L3

Why logarithms, complex numbers

O1 p 6-7

 

Do O1.4

1/26

L4

Why go ‘quantum’? Music and quantum mechanics

Q1 p1-3

 

Do Q1.1

Play with MD demo

1/28

L5

The Postulates of quantum mechanics

Q1 p4-5

noon

Do Q1.2

 

1/31

L6

Some consequences of the postulates

Q1 p6-7

 

Do Q1.3

2/2

L7

Of molecules and springs

Q2 p8-10

 

Do Q2.1, Q2.2

Play with QM demo

2/4

L8

Weird properties of quantum springs

Q2 p10-12

noon

Do Q2.3, Q 2.4

 

2/7

L9

Other models interesting for chemistry: ‘The Box’

Q3 p13-15

 

Do Q3.1

2/9

L10

The simplest atom

Q3 p16-17

 

Do Q3.2

2/11

TA-L11

The simplest molecule

Q4 p18-19

 

 

Do Q4.1

IQmol documentation

2/14

L12

The forbidden region and quantum interference: bonding and antibonding

Q4 p19-20

 

Do Q4.2

2/16

L13

Multi-electron molecules

Q4 p21-22

 

Do Q4.3

2/18

L14

Potential surfaces and absorbing/emitting light

Q5 p23-24

noon

Do Q5.1

2/23

Exam

Hour Exam #1, covers L1-13,

Open annotated textbook and notes.

2/25

L15

Can spectroscopy detect alien life?

Q5 p25-26

noon

Do Q5.2, Q5.3

2/28

L16

How do chemical reactions go over barriers

Q5 p27-28

 

Do Q5.4

3/2

L17

From mechanics to statistical mechanics

S1 p1-3

 

Do S1.1

3/4

L18

The Postulates of statisstical mechanics

S2 p4-5

noon

Do S2.1

3/7

L19

The microcanonical partition function

S2 p6-7

 

Do S2.2

3/9

L20

Entropy and deriving the ‘laws’ of thermodynamics

S2 p8-9

 

Do S2.3

3/11

L21

What is temperature?

S3 p10-12

noon

Do S3.1, S3.2

3/21

L22

Thermodynamic potentials E, F, G and H

S3 p12-14

 

Do S3.3, S3.4

3/23

L23

Heat flow, heat capacity and thermo calculations

S3 p14-15

 

Do S3.5, S3.6, S3.7, S3.8

3/25

L24

Reactions at constant temperature

S4 p16-18

noon

Do S4.1

3/28

L25

Folding proteins with stat mech

S4 p19-20

 

Do S4.2

3/30

L26

Solving problems with the partition function

S4 p21-22

 

Do S4.3, S4.4

4/1

Exam

Hour Exam #2, covers L14-24,

 In-class, open annotated textbook and notes.

4/4

L27

Chemical equilibrium

S5 p23-24

 

Do S5.1, S5.2, S5.3

4/6

TA-L28

Mass action law

S5 p25-26

 

Do S5.4

4/8

L29

Calculating Keq from first principles

S5 p27-28

noon

Do S5.5

 

 

4/11

L30

Moving molecules: brownian motion

S6 p29-30

 

Do S6.1

4/13

L31

Moving molecules: drift and flux

S6 p30-32

 

Do S6.2

4/15

L32

Chemical transport and kinetics: postulates

T1 p1-2

noon

Do T1.1

4/18

L33

Equilibrium, steady state and Boltzmann factor

T1 p2-3

 

Do T1.2

4/20

L34

Deriving transport: Fick’s, Faraday’s and Ohm’s laws

T2

 

Do T2.1, T2.2

4/22

L35

Nernst equation, Osmosis and the ‘Master Table’

T2

noon

Do T2.3, T2.4, T2.5

4/25

L36

Integrated flux and Le Châtelier’s Principle

T3

 

Do T3.1

4/27

L37

Activated rate theory I

T3

 

Do T3.2

4/29

TA-L38

Activated rate theory II

T3

 

Do T3.3, T3.4

5/2

Review

In-class review with Gruebele

Evening review with TAs

 

 

 

 

Final Exam: Friday May 14, 8-11 AM, covers all material