Accelerating materials discovery using artificial intelligence, high performance computing and robotics
Pyzer-Knapp, Edward O., Pitera, Jed W., Staar, Peter W. J., Takeda, Seiji, Laino, Teodoro, Sanders, Daniel P., Sexton, James, Smith, John R., Curioni, Alessandro
Published in npj computational materials (26.04.2022)
Published in npj computational materials (26.04.2022)
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Journal Article
Understanding Folding and Design: Replica-Exchange Simulations of "Trp-Cage" Miniproteins
Pitera, Jed W., Swope, William
Published in Proceedings of the National Academy of Sciences - PNAS (24.06.2003)
Published in Proceedings of the National Academy of Sciences - PNAS (24.06.2003)
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Journal Article
Two-Dimensional Pattern Formation Using Graphoepitaxy of PS‑b‑PMMA Block Copolymers for Advanced FinFET Device and Circuit Fabrication
Tsai, Hsinyu, Pitera, Jed W, Miyazoe, Hiroyuki, Bangsaruntip, Sarunya, Engelmann, Sebastian U, Liu, Chi-Chun, Cheng, Joy Y, Bucchignano, James J, Klaus, David P, Joseph, Eric A, Sanders, Daniel P, Colburn, Matthew E, Guillorn, Michael A
Published in ACS nano (27.05.2014)
Published in ACS nano (27.05.2014)
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Journal Article
Self-assembly in casting solutions of block copolymer membranes
Marques, Debora Salomon, Vainio, Ulla, Chaparro, Nicolas Moreno, Calo, Victor Manuel, Bezahd, Ali Reza, Pitera, Jed W., Peinemann, Klaus-Viktor, Nunes, Suzana P.
Published in Soft matter (01.01.2013)
Published in Soft matter (01.01.2013)
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Journal Article
Determination of the Internal Morphology of Nanostructures Patterned by Directed Self Assembly
Sunday, Daniel F, Hammond, Matthew R, Wang, Chengqing, Wu, Wen-li, Delongchamp, Dean M, Tjio, Melia, Cheng, Joy Y, Pitera, Jed W, Kline, R. Joseph
Published in ACS nano (26.08.2014)
Published in ACS nano (26.08.2014)
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Journal Article
Enabling complex nanoscale pattern customization using directed self-assembly
Doerk, Gregory S., Cheng, Joy Y., Singh, Gurpreet, Rettner, Charles T., Pitera, Jed W., Balakrishnan, Srinivasan, Arellano, Noel, Sanders, Daniel P.
Published in Nature communications (16.12.2014)
Published in Nature communications (16.12.2014)
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Journal Article
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory
Swope, William C, Pitera, Jed W, Suits, Frank
Published in The journal of physical chemistry. B (27.05.2004)
Published in The journal of physical chemistry. B (27.05.2004)
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Journal Article
Orientation Control of Block Copolymers Using Surface Active, Phase-Preferential Additives
Vora, Ankit, Schmidt, Kristin, Alva, Gabriela, Arellano, Noel, Magbitang, Teddie, Chunder, Anindarupa, Thompson, Leslie E, Lofano, Elizabeth, Pitera, Jed W, Cheng, Joy Y, Sanders, Daniel P
Published in ACS applied materials & interfaces (02.11.2016)
Published in ACS applied materials & interfaces (02.11.2016)
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Journal Article
Pattern Placement Accuracy in Block Copolymer Directed Self-Assembly Based on Chemical Epitaxy
Doerk, Gregory S, Liu, Chi-Chun, Cheng, Joy Y, Rettner, Charles T, Pitera, Jed W, Krupp, Leslie E, Topuria, Teya, Arellano, Noel, Sanders, Daniel P
Published in ACS nano (22.01.2013)
Published in ACS nano (22.01.2013)
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Journal Article
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 2. Example Applications to Alanine Dipeptide and a β-Hairpin Peptide
Swope, William C, Pitera, Jed W, Suits, Frank, Pitman, Mike, Eleftheriou, Maria, Fitch, Blake G, Germain, Robert S, Rayshubski, Aleksandr, Ward, T. J. C, Zhestkov, Yuriy, Zhou, Ruhong
Published in The journal of physical chemistry. B (27.05.2004)
Published in The journal of physical chemistry. B (27.05.2004)
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Journal Article
Characterization of the TIP4P-Ew water model: vapor pressure and boiling point
Horn, Hans W, Swope, William C, Pitera, Jed W
Published in The Journal of chemical physics (15.11.2005)
Published in The Journal of chemical physics (15.11.2005)
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Journal Article
Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations
Chodera, John D., Swope, William C., Pitera, Jed W., Dill, Ken A.
Published in Multiscale modeling & simulation (01.01.2006)
Published in Multiscale modeling & simulation (01.01.2006)
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Journal Article
Heterogeneous Folding of the trpzip Hairpin: Full Atom Simulation and Experiment
Yang, Wei Yuan, Pitera, Jed W., Swope, William C., Gruebele, Martin
Published in Journal of molecular biology (06.02.2004)
Published in Journal of molecular biology (06.02.2004)
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Journal Article
Dielectric Properties of Proteins from Simulation: The Effects of Solvent, Ligands, pH, and Temperature
Pitera, Jed W., Falta, Michael, van Gunsteren, Wilfred F.
Published in Biophysical journal (01.06.2001)
Published in Biophysical journal (01.06.2001)
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Journal Article