| Computational Sciences at NDSU Poster Session .:|:. October 25, 2005 |
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Fourteen posters were presented at the
first Computational Sciences at NDSU Poster
Session. Numerous research areas
were represented including physics, chemistry and molecular biology, coatings
and polymeric materials, computer science, engineering, and archeology. Everyone
that participated and attended helped to make the poster session a great success.
We look forward to sponsoring the next poster session with the Center for High Performance Computing during the Spring 2006 semester. |
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| Organic Chemistry Laboratory .:|:. October 2005 |
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Approximately 225 students used the Molecular Operating Environment (MOE, www.chemcomp.com) to calculated the difference in energy between the R and an S entoimer of peppermint oil as part of the Organic Chemistry Laboratory I (CHEM 341L) laboratory "Stereochemistry." This brings the number of students to ~695 that have used MOE for this laboratory experiment. |
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| General Chemistry Majors Laboratory .:|:. October 2005 |
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Dr. Rasmussen's General Chemistry for Majors students explored molecular geometry concepts with Spartan (www.wavefun.com). This laboratory reinforced the molecular geometry concepts discussed in lecture. |
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| Organic
Chemistry Laboratory .:|:. July
2005 |
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Twenty students used the Molecular Operating Environment
(MOE, www.chemcomp.com)
to calculated the difference in energy between the R and an S entoimer of peppermint oil as part of the Organic Chemistry Laboratory
I (CHEM 341L) laboratory "Stereochemistry." This brings the number
of students to ~470 that have used MOE for this laboratory experiment. |
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| Computational
Sciences Journal Club Formed .:|:. June 2005 |
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To
bring computational scientists across the campus together the Computational
Science Journal Club (CSJC)
was formed. The weekly meetings are a forum for those interested
in computational sciences to discuss their research and learn
about the interests of fellow computational scientists. The
meetings are open to anyone interested in learning more about
computational
sciences. Please visit the CSJC website for
more information (meeting location and time and the discussion
topic). |
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| Physical
Chemistry Laboratory .:|:. April – May 2005 |
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The
Physical Chemistry Laboratory (CHEM 471) concluded the semester
with a three-week computational experiment in the Molecular
Modelling
and Bioinformatics Studio. The computational laboratory explored
the energetics of small organic molecules using the Molecular
Operating Environment (MOE, www.chemcomp.com)
and Spartan (www.wavefun.com).
The students learned about and utilized conformation searches,
molecular mechanics, and quantum mechanics in an attempt to
determine the low energy conformer of the compound assigned.
The low energy conformers from each of the methods were compared. |
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| Organic
Chemistry Laboratory .:|:. April 2005 |
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Approximatley
200 students used the Molecular Operating Environment (MOE, www.chemcomp.com)
to calculated the difference in energy between the R and
an S entoimer of peppermint oil as part
of the Organic Chemistry Laboratory I (CHEM 341L) laboratory "Stereochemistry." So
far approximately 450 undergraduate students have used MOE for
this laboratory
experiment. |
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| Methods of Recombinant DNA Technology .:|:. March
2005 |
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Dr.
Spark's Recombinant DNA class used BioEdit (www.mbio.ncsu.edu/BioEdit/bioedit.html)
for the Computer Analysis of DNA Sequences. This laboratory focuses
on DNA sequence searches and alignments. |
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| Organic Chemistry Major's Laboratory .:|:. March
2005 |
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Chemistry
majors in CHEM 354 use Spartan (www.wavefun.com)
to explore a Diels-Alder reaction using ab initio level
calculations. This laboratory explores whether the driving force
behind the Endo / Exo selectivity
of a Diels-Alder cycloaddition is related to the stability of
the products or properties of the transition state.. |
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| Physical
Chemistry Lecture .:|:. November 2004 |
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Dr.
Hershberger's Physical Chemistry class (CHEM 364) used Spartan
(www.wavefun.com) to
explore isotope effects. |
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| General Chemistry Majors Laboratory .:|:. October
2004 |
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Dr.
Rasmussen's General Chemistry for Majors students
explored molecular geometry concepts with Spartan (www.wavefun.com).
This laboratory reinforced the molecular geometry concepts
discussed in lecture. |
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| Organic
Chemistry Laboratory .:|:. October 2004 |
| |
Approximately 250 students used the Molecular Operating Environment
(MOE, www.chemcomp.com)
to calculated the difference in energy between the R and an S entoimer of peppermint oil as part of the Organic Chemistry Laboratory
I (CHEM 341L) laboratory "Stereochemistry." |
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| Summer
Session .:|:. June – July
2004 |
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As
part of the No Teacher Left Behind initiative the Molecular
Modelling and Bioinformatics Studio hosted a computational
chemistry course. High school teachers from North Dakota and
Minnesota
took advantage of this course to learn about the exciting field
of computational chemistry. The teachers were introduced to
methods that computational chemist use on a daily basis. Examples
of quantum and molecular mechanics, conformation searches,
and bioinformatics resources on the web were introduced and
discussed. The final section of the course was a group discussion
on how to integrate the methods discussed into their curriculum.
In addition to the computational methodologies, the teachers
were shown how to construct graphical illustrations of the
computational results and biopolymers for better explanation
of abstract concepts to their students. |
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| Physical
Chemistry Laboratory .:|:. April – May
2004 |
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The
Physical Chemistry Laboratory (CHEM 471) concluded the semester
with a three-week computational experiment in the Molecular
Modelling
and Bioinformatics Studio. The computational laboratory explored
the energetics of small organic molecules using MOE and Spartan.
The students learned about and utilized conformation searches,
molecular mechanics, and quantum mechanics in an attempt to
determine the low energy conformer of the compound assigned.
The low energy conformers from each of the methods were compared. |
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