Molecular Physical Chemistry - Specialization
Study line responsible
Niels Engholm Henriksen Associate Professor Phone: +45 45251595 Mobile: +45 23251595 neh@kemi.dtu.dk
Molecular Physical Chemistry
Physical Chemistry provides the general framework for analyzing and understanding the behavior of matter at the molecular level. This specialization will teach you about the key experimental and theoretical approaches. You will acquire a solid foundation in physical chemistry which together with your general knowledge on chemistry will allow you to contribute to applications within all areas of chemistry including catalysis and drug development. The focus is on the quantitative description of structure, dynamics, and function of molecules.
On the theoretical side you will learn about the key theories which connect the properties of individual molecules with observables in the laboratory. To that end, you will have a chance to make use of the mathematics you have learned – and more. The solution of problems within physical chemistry makes extensive use of computers – including large-scale scientific computing on the biggest computers around. On the experimental side you will get hands-on experience with key methods like spectroscopy and scattering. This includes the new international large-scale facilities like the MAX IV synchrotron beamlines in Lund and the free-electron femtosecond X-ray laser E-XFEL in Hamburg.
This specialization will especially appeal to students who wants to acquire strong general competences with a focus on theory, computer simulation, and data analysis.
Program Provisions
To complete the speicialization in Molecular Physical Chemistry the student must fulfil the following requirements:
- Have passed Polytechnical foundation courses adding up to at least 10 ECTS
- Have passed Programme specific courses adding up to at least 50 ECTS
- Have performed a Master Thesis of at least 30 ECTS within Molecular Physical Chemistry
- Have passed a sufficient number of Elective courses to bring the total number of ECTS of the entire study to 120 ECTS
Mandatory course
All mandatory courses under the polytechnic foundation and programme specific courses in the curriculum must be completed, in addition, the following must be fulfilled:
The following courses are mandatory for the specialization:
| 26231 | Physical Chemistry 3 | 5 | point | Spring F5B (Wed 13-17) |
| 47339 | Solid state and structural chemistry | 5 | point | Autumn E1A (Mon 8-12) |
Choose 15 ECTS among the rest of the programme-specific courses:
| 26130 | Spectroscopic methods | 5 | point | Autumn E2B (Thurs 8-12) |
| 26236 | Statistical thermodynamics and reaction dynamics | 5 | point | Autumn E4B (Fri 8-12) |
| 26245 | Applied computational chemistry | 5 | point | June |
| 26255 | Molecular dynamics and machine learning | 5 | point | Autumn E5A (Wed 8-12) |
| 26261 | Introduction to Quantum Chemistry | 5 | point | Autumn E4A (Tues 13-17) |
| 26263 | Molecular electronic structure methods | 5 | point | Spring F2A (Mon 13-17) |
| 26290 | Chemistry at the Nanoscale | 5 | point | Autumn E1B (Thurs 13-17) |
| 28315 | Applied Colloid and Surface Chemistry | 5 | point | E7 (Tues 18-22) |
| 47336 | Applications of X-ray and neutron scattering in biology, chemistry, and physics | 5 | point | August |
Elective Courses
Choose at least 5 points among the following courses:
The courses below are proposal for the specialization.
| 02450 | Introduction to Machine Learning and Data Mining | 5 | point | Spring F4A (Tues 13-17), Autumn E4A (Tues 13-17) |
| 10102 | Quantum Mechanics | 10 | point | Spring F4 (Tues 13-17, Fri 8-12) |
| 10104 | Introduction to Quantum Mechanics | 5 | point | Spring F1A (Mon 8-12) |
| 10302 | Electronic Structure Methods in Material Physics, Chemistry and Biology | 10 | point | Spring F5 (Wed 8-17) |
| 10304 | Experimental Surface Physics | 10 | point | Spring F3 (Tues 8-12, Fri 13-17) |
| 10339 | Concepts in heterogeneous catalysis and applications to energy conversion | 5 | point | Autumn E3B (Fri 13-17) |
| 28242 | Chemical Kinetics and Catalysis | 5 | point | Autumn E1A (Mon 8-12) |
| 28530 | Transport Processes | 10 | point | Autumn E5 (Wed 8-17) |
| 28917 | Statistical Thermodynamics for Chemical Engineering | 5 | point | Autumn E4B (Fri 8-12) |
Autumn start - proposed study line
Recommended additional Programme-specific/Elective courses: 10104, 10302, 10339, 10304, 26263, 26290, 26422, 26433 28530
Electives
Applications of X-ray and neutron... Applications of X-ray and neutron scattering in biology, chemistry, and physics
Master's thesis
Spring start - proposed study line
Recommended additional Programme-specific/Elective courses: 10304, 10339, 26130, 26255, 26290, 26422,26433, 28242, 28530
Applications of X-ray and neutron... Applications of X-ray and neutron scattering in biology, chemistry, and physics
Electives
Master's thesis
Specializations are merely recommended ways of choosing the courses in the curriculum. Applicants are not admitted to a specialization but to the programme and it is possible to choose among all the courses in the curriculum following the directions given. However, if a specialization has been fulfilled the title of the specialization may be added to the diploma.
Molecular Physical Chemistry
Physical Chemistry provides the general framework for analyzing and understanding the behavior of matter at the molecular level. This specialization will teach you about the key experimental and theoretical approaches. You will acquire a solid foundation in physical chemistry which together with your general knowledge on chemistry will allow you to contribute to applications within all areas of chemistry including catalysis and drug development. The focus is on the quantitative description of structure, dynamics, and function of molecules.
On the theoretical side you will learn about the key theories which connect the properties of individual molecules with observables in the laboratory. To that end, you will have a chance to make use of the mathematics you have learned – and more. The solution of problems within physical chemistry makes extensive use of computers – including large-scale scientific computing on the biggest computers around. On the experimental side you will get hands-on experience with key methods like spectroscopy and scattering. This includes the new international large-scale facilities like the MAX IV synchrotron beamlines in Lund and the free-electron femtosecond X-ray laser E-XFEL in Hamburg.
This specialization will especially appeal to students who wants to acquire strong general competences with a focus on theory, computer simulation, and data analysis.
Program Provisions
To complete the speicialization in Molecular Physical Chemistry the student must fulfil the following requirements:
- Have passed Polytechnical foundation courses adding up to at least 10 ECTS
- Have passed Programme specific courses adding up to at least 50 ECTS
- Have performed a Master Thesis of at least 30 ECTS within Molecular Physical Chemistry
- Have passed a sufficient number of Elective courses to bring the total number of ECTS of the entire study to 120 ECTS
Mandatory course
All mandatory courses under the polytechnic foundation and programme specific courses in the curriculum must be completed, in addition, the following must be fulfilled:
The following courses are mandatory for the specialization:
| 26231 | Physical Chemistry 3 | 5 | point | Spring F5B (Wed 13-17) |
| 47339 | Solid state and structural chemistry | 5 | point | Autumn E1A (Mon 8-12) |
Choose 15 ECTS among the rest of the programme-specific courses:
| 26130 | Spectroscopic methods | 5 | point | Autumn E2B (Thurs 8-12) |
| 26236 | Statistical thermodynamics and reaction dynamics | 5 | point | Autumn E4B (Fri 8-12) |
| 26245 | Applied computational chemistry | 5 | point | June |
| 26255 | Molecular dynamics and machine learning | 5 | point | Autumn E5A (Wed 8-12) |
| 26261 | Introduction to Quantum Chemistry | 5 | point | Autumn E4A (Tues 13-17) |
| 26263 | Molecular electronic structure methods | 5 | point | Spring F2A (Mon 13-17) |
| 26290 | Chemistry at the Nanoscale | 5 | point | Autumn E1B (Thurs 13-17) |
| 28315 | Applied Colloid and Surface Chemistry | 5 | point | E7 (Tues 18-22) |
| 47336 | Applications of X-ray and neutron scattering in biology, chemistry, and physics | 5 | point | August |
Elective Courses
Choose at least 5 points among the following courses:
The courses below are proposal for the specialization.
| 02450 | Introduction to Machine Learning and Data Mining | 5 | point | Spring F4A (Tues 13-17), Autumn E4A (Tues 13-17) |
| 10102 | Quantum Mechanics | 10 | point | Spring F4 (Tues 13-17, Fri 8-12) |
| 10104 | Introduction to Quantum Mechanics | 5 | point | Spring F1A (Mon 8-12) |
| 10302 | Electronic Structure Methods in Material Physics, Chemistry and Biology | 10 | point | Spring F5 (Wed 8-17) |
| 10304 | Experimental Surface Physics | 10 | point | Spring F3 (Tues 8-12, Fri 13-17) |
| 10339 | Concepts in heterogeneous catalysis and applications to energy conversion | 5 | point | Autumn E3B (Fri 13-17) |
| 28242 | Chemical Kinetics and Catalysis | 5 | point | Autumn E1A (Mon 8-12) |
| 28530 | Transport Processes | 10 | point | Autumn E5 (Wed 8-17) |
| 28917 | Statistical Thermodynamics for Chemical Engineering | 5 | point | Autumn E4B (Fri 8-12) |
Autumn start - proposed study line
Recommended additional Programme-specific/Elective courses: 10104, 10302, 10339, 10304, 26263, 26290, 26422, 26433 28530
Electives
Applications of X-ray and neutron... Applications of X-ray and neutron scattering in biology, chemistry, and physics
Master's thesis
Spring start - proposed study line
Recommended additional Programme-specific/Elective courses: 10304, 10339, 26130, 26255, 26290, 26422,26433, 28242, 28530
Applications of X-ray and neutron... Applications of X-ray and neutron scattering in biology, chemistry, and physics
Electives
Master's thesis
Specializations are merely recommended ways of choosing the courses in the curriculum. Applicants are not admitted to a specialization but to the programme and it is possible to choose among all the courses in the curriculum following the directions given. However, if a specialization has been fulfilled the title of the specialization may be added to the diploma.