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1

Investigation of a grid-free density functional theory (DFT) approach

Glaesemann, Kurt R., Gordon, Mark S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 439 KB

english, 1998

2

Auxiliary basis sets for grid-free density functional theory

Glaesemann, Kurt R., Gordon, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 312 KB

english, 2000

3

Evaluation of gradient corrections in grid-free density functional theory

Glaesemann, Kurt R., Gordon, Mark S.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 302 KB

english, 1999

4

A path integral approach to molecular thermochemistry

Glaesemann, Kurt R., Fried, Laurence E.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 328 KB

english, 2003

5

[IEEE 2015 IEEE Power & Energy Society General Meeting - Denver, CO, USA (2015.7.26-2015.7.30)] 2015 IEEE Power & Energy Society General Meeting - Sub-second state estimation implementation and its evaluation with real data

Chen, Yousu, Rice, Mark, Glaesemann, Kurt, Huang, Zhenyu

Year:

2015

Language:

english

File:

PDF, 245 KB

english, 2015

6

EOMCC, MRPT, and TDDFT Studies of Charge Transfer Processes in Mixed-Valence Compounds: Application to the Spiro Molecule †

Glaesemann, Kurt R., Govind, Niranjan, Krishnamoorthy, Sriram, Kowalski, Karol

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 741 KB

english, 2010

7

Improved wood–kirkwood detonation chemical kinetics

Kurt R. Glaesemann, Laurence E. Fried

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 247 KB

english, 2008

8

On the Ordering of Orbital Energies in High-Spin ROHF †

Glaesemann, Kurt R., Schmidt, Michael W.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 295 KB

english, 2010

9

Integrated State Estimation and Contingency Analysis Software Implementation using High Performance Computing Techniques

Chen, Yousu, Glaesemann, Kurt, Rice, Mark, Huang, Zhenyu

Journal:

IFAC-PapersOnLine

Year:

2015

Language:

english

File:

PDF, 519 KB

english, 2015

10

Contingency Analysis Post-Processing With Advanced Computing and Visualization

Chen, Yousu, Glaesemann, Kurt, Fitzhenry, Erin

Journal:

IFAC-PapersOnLine

Year:

2017

Language:

english

File:

PDF, 772 KB

english, 2017

11

Ab Initio Calculations of Reactive Pathways for α-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (α-HMX)

Lewis, James P., Glaesemann, Kurt R., VanOpdorp, Kirk, Voth, Gregory A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 78 KB

english, 2000

12

A study of FeCO+ with correlated wavefunctions

Glaesemann, Kurt R., Gordon, Mark S., Nakano, Haruyuki

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 187 KB

english, 1999

13

Further developments in the local-orbital density-functional-theory tight-binding method

Lewis, James P., Glaesemann, Kurt R., Voth, Gregory A., Fritsch, Jürgen, Demkov, Alexander A., Ortega, José, Sankey, Otto F.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 157 KB

english, 2001

14

Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method

Spencer D. Shellman, James P. Lewis, Kurt R. Glaesemann, Krzysztof Sikorski, Gregory A. Voth

Journal:

Journal of Computational Physics

Year:

2003

Language:

english

File:

PDF, 337 KB

english, 2003

15

Improved heat capacity estimator for path integral simulations

Glaesemann, Kurt R., Fried, Laurence E.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 324 KB

english, 2002

16

ISiCLE: A quantum chemistry pipeline for establishing in silico collision cross section libraries

Colby, Sean M, Thomas, Dennis G., Nuñez, Jamie R, Baxter, Douglas J, Glaesemann, Kurt R, Brown, Joseph M., Pirrung, Meg A, Govind, Niranjan, Teeguarden, Justin G., Metz, Thomas O., Renslow, Ryan S.

Journal:

Analytical Chemistry

Year:

2019

Language:

english

File:

PDF, 633 KB

english, 2019

17

Free Energies for Degradation Reactions of 1,2,3-Trichloropropane from ab Initio Electronic Structure Theory

Bylaska, Eric J., Glaesemann, Kurt R., Felmy, Andrew R., Vasiliu, Monica, Dixon, David A., Tratnyek, Paul G.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 361 KB

english, 2010

18

A transient semimetallic layer in detonating nitromethane

Reed, Evan J., Riad Manaa, M., Fried, Laurence E., Glaesemann, Kurt R., Joannopoulos, J. D.

Journal:

Year:

2007

Language:

english

File:

PDF, 757 KB

english, 2007

19

An improved thermodynamic energy estimator for path integral simulations

Glaesemann, Kurt R., Fried, Laurence E.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 304 KB

english, 2002

20

Aiding Cascading Analysis Modelling with High-performance-computing Technology

Chen, Yousu, Glaesemann, Kurt

Journal:

IFAC-PapersOnLine

Year:

2018

Language:

english

File:

PDF, 610 KB

english, 2018

21

Quantitative molecular thermochemistry based on path integrals

Glaesemann, Kurt R., Fried, Laurence E.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 337 KB

english, 2005

22

AIP Conference Proceedings [AIP SHOCK COMPRESSION OF CONDENSED MATTER - 2007: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Waikoloa (Hawaii) (24–29 June 2007)] - A TRANSIENT SEMI-METALLIC LAYER IN DETONATING NITROMETHANE

Reed, Evan J., Manaa, M. Riad, Fried, Laurence E., Glaesemann, Kurt, Joannopoulos, John D., Elert, Mark, Furnish, Michael D., Chau, Ricky, Holmes, Neil, Nguyen, Jeffrey

Year:

2008

Language:

english

File:

PDF, 1.21 MB

english, 2008

23

ISiCLE: A quantum chemistry pipeline for establishing in silico collision cross section libraries

Colby, Sean M, Thomas, Dennis G., Nuñez, Jamie R, Baxter, Douglas J, Glaesemann, Kurt R, Brown, Joseph M., Pirrung, Meg A, Govind, Niranjan, Teeguarden, Justin G., Metz, Thomas O., Renslow, Ryan S.

Journal:

Analytical Chemistry

Year:

2019

File:

PDF, 633 KB

2019

24

A natural orbital diagnostic for multiconfigurational character in correlated wave functions

Gordon, Mark S., Schmidt, Michael W., Chaban, Galina M., Glaesemann, Kurt R., Stevens, Walter J., Gonzalez, Carlos

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 375 KB

english, 1999

25

Advanced Computational Methods for Security Constrained Financial Transmission Rights: Structure and Parallelism

Elbert, Stephen T., Kalsi, Karanjit, Vlachopoulou, Maria, Rice, Mark J., Glaesemann, Kurt R., Zhou, Ning

Journal:

IFAC Proceedings Volumes

Year:

2012

Language:

english

File:

PDF, 1.28 MB

english, 2012

26

Moleculo Long-Read Sequencing Facilitates Assembly and Genomic Binning from Complex Soil Metagenomes

White, Richard Allen, Bottos, Eric M., Roy Chowdhury, Taniya, Zucker, Jeremy D., Brislawn, Colin J., Nicora, Carrie D., Fansler, Sarah J., Glaesemann, Kurt R., Glass, Kevin, Jansson, Janet K., Langill

Journal:

Year:

2016

Language:

english

File:

PDF, 1.53 MB

english, 2016

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