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  • 2017

    A sparse latent regression approach for integrative analysis of glycomic and glycotranscriptomic data

    Wang, X., Li, S., Peng, W., Mechref, Y. & Tang, H., Aug 20 2017, ACM-BCB 2017 - Proceedings of the 8th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics. Association for Computing Machinery, Inc, p. 273-278 6 p. (ACM-BCB 2017 - Proceedings of the 8th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • 2016

    Implementation of a Parallel Linear-Response Coupled-Cluster-Theory Module in ACES III. First Application to the Static Polarizabilities of the C20 Isomers and of the Biphospholylidene Dioxide and Disulfide Oligomers.

    Perera, A. & Morales, J. A., 2016, Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B, 2016. Sabin, J. R., Cabrera-Trujillo, R. & Sabin, J. R. (eds.). Academic Press Inc., p. 29-60 32 p. (Advances in Quantum Chemistry; vol. 72).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • Multi-omic approaches for characterization of hepatocellular carcinoma

    Ressom, H. W., Di Poto, C., Ferrarini, A., Hu, Y., Ranjbar, M. R. N., Song, E., Varghese, R. S., Wang, M., Zhou, S., Zhu, R., Zuo, Y., Tadesse, M. G. & Mechref, Y., Oct 13 2016, 2016 38th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBC 2016. Institute of Electrical and Electronics Engineers Inc., p. 3437-3440 4 p. 7591467. (Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBS; vol. 2016-October).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    3 Scopus citations
  • 2014

    Vibrational spectroscopy and 2D correlation analysis as a probe of structure in ionomer membrane materials

    Korzeniewski, C. & Byun, C. K., 2014, Polymer Electrolyte Fuel Cells 14. Shinohara, K., Narayanan, S. R., Swider-Lyons, K., Weber, A., Coutanceau, C., Mantz, R., Gasteiger, H. A., Jones, D., Edmundson, M., Mitsushima, S., Ramani, V., Meas, Y., Fuller, T., Uchida, H., Buchi, F. N., Perry, K. A., Schmidt, T. J., Fenton, J. M. & Strasser, P. (eds.). 3 ed. Electrochemical Society Inc., p. 719-727 9 p. (ECS Transactions; vol. 64, no. 3).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • 2013

    Effect of urea processing on the thermal degradation kinetics of cattlehide collagen fibers

    Tang, K., Zheng, X., Casadonte, D. J., Pan, H. & Shelly, D. C., 2013, 32nd Congress of the International Union of Leather Technologists and Chemist Societies, IULTCS 2013. Deri Teknologlari, Teknisyenleri ve Kimyacilari Dernegi, (32nd Congress of the International Union of Leather Technologists and Chemist Societies, IULTCS 2013).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • GPA: An algorithm for LC/MS based glycan profile annotation

    Wang, M., Yu, G., Mechref, Y. & Ressom, H. W., 2013, Proceedings - 2013 IEEE International Conference on Bioinformatics and Biomedicine, IEEE BIBM 2013. p. 16-22 7 p. 6732616. (Proceedings - 2013 IEEE International Conference on Bioinformatics and Biomedicine, IEEE BIBM 2013).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    6 Scopus citations
  • Photoluminescence properties of hierarchical YBO3:Eu 3+ nanostructures

    Sohal, S., Zhang, X., Marathe, A., Kuryatkov, V. V., Davis, M., Hope-Weeks, L. J., Chaudhuri, J. & Holtz, M., 2013, TMS 2013 - 142nd Annual Meeting and Exhibition, Supplemental Proceedings: Linking Science and Technology for Global Solutions. p. 119-125 7 p. (TMS Annual Meeting).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • 2012

    Cis-trans photoisomerization of azobenzene upon excitation to the S 1 state: An ab initio molecular dynamics and QM/MM study

    Pederzoli, M., Pittner, J., Barbatti, M. & Lischka, H., 2012, Nanoengineering: Fabrication, Properties, Optics, and Devices IX. 846318. (Proceedings of SPIE - The International Society for Optical Engineering; vol. 8463).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • OKE spectroscopy and molecular dynamics simulations of nonpolar and polar molecules in ionic liquids

    Quitevis, E. L., Bardak, F., Xiao, D., Hines, L. G., Son, P., Bartsch, R. A., Yang, P. & Voth, G. A., Dec 18 2012, Ionic Liquids: Science and Applications. American Chemical Society, p. 271-287 17 p. (ACS Symposium Series; vol. 1117).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    4 Scopus citations
  • 2011

    Electrical conductivity and surface area of silver nanoparticle/graphene hybrid

    Zhang, Y., Wang, S., Zhang, K., Qiu, J., Davis, M. & Hope-Weeks, L. J., 2011, SAMPE Tech 2011 Conference and Exhibition: Developing Scalable Materials and Processes for Our Future. (International SAMPE Technical Conference).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Work in progress - Classroom and distance components of a GK12 program placing graduate students in high school classrooms

    Brough, J., Baker, M. & Casadonte, D., 2011, 41st Annual Frontiers in Education Conference: Celebrating 41 Years of Monumental Innovations from Around the World, FIE 2011. 6142945. (Proceedings - Frontiers in Education Conference, FIE).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    3 Scopus citations
  • 2010

    Radiation testing of CCDs for space applications

    Baltay, C., Bauer, A., Emmet, W., Jerke, J., Rabinowitz, D., Silverman, D., Szymkowiak, A. & Zevi Della Porta, G., 2010, High Energy, Optical, and Infrared Detectors for Astronomy IV. 77422G. (Proceedings of SPIE - The International Society for Optical Engineering; vol. 7742).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Supporting molecular modeling workflows within a Grid services cloud

    Koehler, M., Ruckenbauer, M., Janciak, I., Benkner, S., Lischka, H. & Gansterer, W. N., 2010, Computational Science and Its Applications - ICCSA 2010 - International Conference, Proceedings. PART 4 ed. Springer-Verlag, p. 13-28 16 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 6019 LNCS, no. PART 4).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    3 Scopus citations
  • 2009

    Interactions of hydrogen in porous materials probed by rotational tunneling spectroscopy

    Eckert, J., 2009, American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers. (ACS National Meeting Book of Abstracts).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Quantum dynamics of hydrogen interacting exohedrally with single-walled carbon nanotubes

    Poirier, B., 2009, American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers. (ACS National Meeting Book of Abstracts).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • The nearby supernova factory: First results

    Copin, Y., Aldering, G., Antilogus, P., Aragon, C., Bailey, S., Baltay, C., Bongard, S., Buton, C., Childress, M., Gangler, É., Jerke, J., Loken, S., Nugent, P., Pain, R., Pécontal, E., Pereira, R., Perlmutter, S., Rabinovitz, D., Rigaudier, G., Ripoche, P. & 7 others, Runge, K., Scalzo, R., Smadja, G., Swift, H., Tao, C., Thomas, R. C. & Wu, C., 2009, Dark Energy and Dark Matter - Observations, Experiments and Theories. Pecontal, E., Buchert, T., Stefano, D. & Copin, Y. (eds.). p. 11-15 5 p. (EAS Publications Series; vol. 36).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • 2008

    Analysis of maldi-tof mass spectrometry data for detection of glycan biomarkers

    Ressom, H. W., Varghese, R. S., Goldman, L., Loffredo, C. A., Abdel-Hamid, M., Kyselova, Z., Mechref, Y., Novotny, M. & Goldman, R., 2008, Pacific Symposium on Biocomputing 2008, PSB 2008. p. 216-227 12 p. (Pacific Symposium on Biocomputing 2008, PSB 2008).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    15 Scopus citations
  • Design of optimal laser fields to control vibrational excitations in carboxy-myoglobin

    Singh, H., Sharma, S., Kumar, P., Harvey, J. N. & Balint-Kurti, G. G., 2008, Computational Science - ICCS 2008 - 8th International Conference, Proceedings. PART 2 ed. p. 387-395 9 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 5102 LNCS, no. PART 2).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    Open Access
    11 Scopus citations
  • Integrated peptide and glycan biomarker discovery using MALDI-TOF mass spectrometry

    Varghese, R. S., Goldman, L., An, Y., Loffredo, C. A., Abdel-Hamid, M., Kyselova, Z., Mechref, Y., Novotny, M., Drake, S. K., Goldman, R. & Ressom, H. W., 2008, Proceedings of the 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBS'08. IEEE Computer Society, p. 3791-3794 4 p. 4650034. (Proceedings of the 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBS'08 - "Personalized Healthcare through Technology").

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    2 Scopus citations
  • 2007

    A computational approach for the identification of site-specific protein glycosylations through ion-trap mass spectrometry

    Wu, Y., Mechref, Y., Klouckova, I., Novotny, M. V. & Tang, H., 2007, Systems Biology and Computational Proteomics - Joint RECOMB 2006 Satellite Workshops on Systems Biology and on Computational Proteomics, Revised Selected Papers. Springer-Verlag, p. 96-107 12 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 4532 LNBI).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    3 Scopus citations
  • A grid-based cyber infrastructure for high performance chemical dynamics simulations

    Prashant, K., Zhuang, Y., Lourderaj, U. & Hase, W. L., 2007, CITSA 2007 - Int. Conference on Cybernetics and Information Technologies, Systems and Applications and CCCT 2007 - Int. Conference on Computing, Communications and Control Technologies, Proceedings. p. 105-110 6 p. (CITSA 2007 - Int. Conference on Cybernetics and Information Technologies, Systems and Applications and CCCT 2007 - Int. Conference on Computing, Communications and Control Technologies, Proceedings; vol. 1).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Analysis of mass spectrometry data for serum biomarker discovery

    Ressom, H. W., Varghese, R. S., Goldman, L., Loffredo, C. A., Abdel-Hamid, M., Kyselova, Z., Mechref, Y., Novotny, M. & Goldman, R., Jan 1 2007, 2007 IEEE/NIH Life Science Systems and Applications Workshop, LISA. IEEE Computer Society, p. 172-175 4 p. 4400912. (2007 IEEE/NIH Life Science Systems and Applications Workshop, LISA).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Coherent-states dynamics: A Tribute to N. Yngve Öhrn

    Morales, J. A., 2007, Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1 ed. p. 460-473 14 p. (AIP Conference Proceedings; vol. 963, no. 1).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • Nonadiabatic ab initio surface-hopping dynamics calculation in a grid environment - First experiences

    Ruckenbauer, M., Brandic, I., Benkner, S., Gansterer, W., Gervasi, O., Barbatti, M. & Lischka, H., 2007, Computational Science and Its Applications - ICCSA 2007 - International Conference, Proceedings. PART 1 ed. Springer-Verlag, p. 281-294 14 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 4705 LNCS, no. PART 1).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    2 Scopus citations
  • 2006

    Data reduction schemes in davidson subspace diagonalization for MR-CI

    Gansterer, W. N., Kreuzer, W. & Lischka, H., 2006, Large-Scale Scientific Computing - 5th International Conference, LSSC 2005, Revised Papers. p. 564-571 8 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 3743 LNCS).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • 2002

    Experiments with parallelizing a tribology application

    Chaudhary, V., Hase, W. L., Jiang, H., Sun, L. & Thaker, D., 2002, Proceedings - International Conference on Parallel Processing Workshops, ICPPW 2002. Olariu, S. (ed.). Institute of Electrical and Electronics Engineers Inc., p. 344-351 8 p. 1039750. (Proceedings of the International Conference on Parallel Processing Workshops; vol. 2002-January).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • 1994

    Parallel computing in Quantum Chemistry - message passing and beyond for a general ab initio program system

    Lischka, H., Dachsel, H. & Harrison, R. J., 1994, High-Performance Computing and Networking: Applications - International Conference and Exhibition, Proceedings. Gentzsch, W. & Harms, U. (eds.). Springer-Verlag, p. 203-209 7 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 796 LNCS).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • 1990

    Excitation intensity and polarization effects in the picosecond spectroscopy of molecular aggregates

    Quitevis, E. L. & Horng, M. L., 1990, Proceedings of SPIE - The International Society for Optical Engineering. Publ by Int Soc for Optical Engineering, p. 198-205 8 p. (Proceedings of SPIE - The International Society for Optical Engineering; vol. 1209).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    1 Scopus citations
  • 1983

    LOCALIZED VIBRATIONS OF H IN Nb AND Ta AT HIGH CONCENTRATION AND LOW TEMPERATURES.

    Eckert, J., Goldstone, J. A. & Richter, D., 1983, NATO Conference Series, (Series) 6: Materials Science. Plenum Press, p. 167 1 p. (NATO Conference Series, (Series) 6: Materials Science; vol. 6).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

  • 1982

    SUBPICOSECOND LASER SPECTROSCOPY: PULSE DIAGNOSTICS AND MOLECULAR DYNAMICS IN LIQUIDS.

    Kalpouzos, C., Kenney-Wallace, G. A., Kroger, P. M., Quitevis, E. & Wallace, S. C., 1982, Springer Series in Chemical Physics. Springer-Verlag, p. 221-227 7 p. (Springer Series in Chemical Physics; vol. 23).

    Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

    2 Scopus citations