39.2: Invited Paper: First, Faster, Further: Competitive Advantage with Next‐Generation Materials Development

Authors: Winget, Paul, Kwak, H. Shaun, Dub, Pavel, Abroshan, Hadi, Giesen, Dave, Li, Jun, Cao, Yixiang, Mustard, Thomas J., Duan, Jianxin, Brown, Christopher T., Halls, Mathew D.

Source: Digest of technical papers. 54:254-257

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100194682025.0x000001&indx=1&recIds=ETOCvdc_100194682025.0x000001

57‐1: Accelerating Next‐Generation Display Materials Development with a Smart Digital Chemistry Platform

Authors: Winget, Paul, Kwak, Shaun, Abroshan, Hadi, Dub, Pavel A., Giesen, Dave, Mustard, Thomas J., Cao, Yixiang, Brown, Christopher T., Halls, Mathew D.

Source: Digest of technical papers. 54(1):818-821

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85‐4: Digital Chemistry, Data Processing, and Collaborative Ideation for Development of OLEDs.

Authors: Abroshan, Hadi¹, hadi.abroshan@schrodinger.com, Kwak, H. Shaun¹, Chandrasekaran, Anand¹, Collins, Eric¹, Winget, Paul¹, Giesen, David J.¹, Mustard, Thomas J.¹, Liu, Yun¹, Brown, Christopher T.¹, Halls, Mathew D.¹

Source: SID Symposium Digest of Technical Papers; Jun2024, Vol. 55 Issue 1, p1187-1190, 4p

Chemical Modification Mechanisms in Hybrid Hafnium Oxo-methacrylate Nanocluster Photoresists for Extreme Ultraviolet Patterning

Authors: Mattson, Eric C., Cabrera, Yasiel, Rupich, Sara M., Wang, Yuxuan, Oyekan, Kolade A., Mustard, Thomas J., Halls, Mathew D., Bachtel, Hans A., Martin, Michael C., Chabal, Yves J.

Source: Chemistry of materials. 30(17):6192-6206

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632363653&indx=1&recIds=ETOCRN632363653

Atomic-scale Simulation for the Analysis, Optimization and Accelerated Development of Organic Optoelectronic Materials

Authors: Halls, Mathew D., Yoshidome, Daisuke, Mustard, Thomas J., Goldberg, Alexander, Kwak, H. Shaun, Gavartin, Jacob L.

Source: Nihon Gazo Gakkai shi. 54(6):561-569

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN604036537&indx=1&recIds=ETOCRN604036537

39.2: Invited Paper:First, Faster, Further: Competitive Advantage with Next‐Generation Materials Development

Authors: Winget, Paul, Kwak, H. Shaun, Dub, Pavel, Abroshan, Hadi, Giesen, Dave, Li, Jun, Cao, Yixiang, Mustard, Thomas J., Duan, Jianxin, Brown, Christopher T., Halls, Mathew D.

Source: SID Symposium Digest of Technical Papers; April 2023, Vol. 54 Issue: Supplement 1 p254-257, 4p

Atomistic simulations of mechanical and thermophysical properties of OLED materials.

Authors: Sanders, Jeffrey M., Kwak, H. Shaun, Mustard, Thomas J., Browning, Andrea R., Halls, Mathew D.

Source: Proceedings of SPIE; 6/13/2018, Vol. 10736, p1-8, 8p

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Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment

Authors: Matsuzawa, Nobuyuki N., Arai, Hideyuki, Sasago, Masaru, Fujii, Eiji, Goldberg, Alexander, Mustard, Thomas J., Kwak, H. Shaun, Giesen, David J., Ranalli, Fabio, Halls, Mathew D.

Source: The Journal of Physical Chemistry - Part A; March 2020, Vol. 124 Issue: 10 p1981-1992, 12p

MODELING THERMOSET POLYMERS AT THE ATOMIC SCALE: PREDICTION OF NETWORK TOPOLOGY, GLASS TRANSITION TEMPERATURE AND MECHANICAL PROPERTIES.

Authors: Sanders, Jeffrey M.¹, Kwak, H. Shaun², Christensen, Stephen³, Mustard, Thomas J. L.⁴, Halls, Mathew D.³

Source: International Sampe Technical Conference; 2017, p1078-1086, 9p

Structural convergence properties of amorphous InGaZnO4 from simulated liquid-quench methods.

Authors: Buchanan, Jacob C., Fast, Dylan B., Hanken, Benjamin E., Mustard, Thomas J. L., Laurita, Geneva, Chiang, Tsung-Han, Keszler, Douglas A., Subramanian, Mas A., Wager, John F., Dolgos, Michelle R., Rustad, James R., Cheong, Paul Ha-Yeon

Source: Dalton Transactions: An International Journal of Inorganic Chemistry; 11/28/2017, Vol. 46 Issue 44, p15311-15316, 6p

Subject Terms: AMORPHOUS substances, CRYSTAL structure, COMPUTER simulation

Atomistic simulations of mechanical and thermophysical properties of OLED materials

Authors: Adachi, Chihaya, Kim, Jang-Joo, So, Franky, Sanders, Jeffrey M., Kwak, H. Shaun, Mustard, Thomas J., Browning, Andrea R., Halls, Mathew D.

Source: Proceedings of SPIE; September 2018, Vol. 10736 Issue: 1 p107362G-107362G-8, 966267p

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Accelerated discovery of OLED materials through atomic-scale simulation

Authors: So, Franky, Adachi, Chihaya, Kim, Jang-Joo, Halls, Mathew D., Giesen, David J., Hughes, Thomas F., Goldberg, Alexander, Cao, Yixiang, Kwak, H. Shaun, Mustard, Thomas J., Gavartin, Jacob

Source: Proceedings of SPIE; September 2016, Vol. 9941 Issue: 1 p99411C-99411C-7, 894707p

Catalyst selective and regiodivergent O- to C- or Ncarboxyl transfer of pyrazolyl carbonates: synthetic and computational studies.

Authors: Gould, Eoin, Walden, Daniel M., Kasten, Kevin, Johnston, Ryne C., Jiufeng Wu, Slawin, Alexandra M. Z., Mustard, Thomas J. L., Johnston, Brittany, Davies, Tony, Paul Ha-Yeon Cheong, Smith, Andrew D.

Source: Chemical Science; 2014, Vol. 5 Issue 9, p3651-3658, 8p