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발행년	- (예 : 2010-2015)

Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential

Academic Journal

Zhang, S.; Isayev, O.; Jadrich, R.B.; Barros, K.; Nebgen, B.T.; Tretiak, S.; Messerly, R.A.; Smith, J.S.; Makoś, M.Z.; Kraka, E.; Lubbers, N.

In: Nature Chemistry. (Nature Chemistry, May 2024, 16(5):727-734)

Web of Science JCR 저널정보 Scopus Find it@PNU

Teaching a neural network to attach and detach electrons from molecules

Academic Journal

Zubatyuk, R.; Isayev, O.; Smith, J.S.; Nebgen, B.T.; Tretiak, S.

In: Nature Communications. (Nature Communications, 1 December 2021, 12(1))

Full Text (ProQuest Central) Web of Science JCR 저널정보 Scopus Find it@PNU

Intermolecular conical intersections in molecular aggregates

Academic Journal

De Sio, A.; Sommer, E.; Nguyen, X.T.; Lienau, C.; Groß, L.; Frauenheim, T.; Popović, D.; Mena-Osteritz, E.; Bäuerle, P.; Nebgen, B.T.; Tretiak, S.; Fernandez-Alberti, S.; Pittalis, S.; Rozzi, C.A.; Molinari, E.

In: Nature Nanotechnology. (Nature Nanotechnology, January 2021, 16(1):63-68)

Full Text (Nature Journals) Full Text (ProQuest Central) Web of Science JCR 저널정보 Scopus Find it@PNU

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Academic Journal

Smith, J.S.; Devereux, C.; Roitberg, A.E.; Nebgen, B.T.; Zubatyuk, R.; Lubbers, N.; Barros, K.; Tretiak, S.; Isayev, O.

In: Nature Communications. (Nature Communications, 1 December 2019, 10(1))

Full Text (ProQuest Central) Web of Science JCR 저널정보 Scopus Find it@PNU

Discovering a Transferable Charge Assignment Model Using Machine Learning

Academic Journal

Sifain, A.E.; Lubbers, N.; Nebgen, B.T.; Smith, J.S.; Lokhov, A.Y.; Barros, K.; Tretiak, S.; Roitberg, A.E.; Isayev, O.

In: Journal of Physical Chemistry Letters. (Journal of Physical Chemistry Letters, 16 August 2018, 9(16):4495-4501)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software

Academic Journal

Sifain, A.E.; Prezhdo, O.V.; Bjorgaard, J.A.; Nelson, T.R.; Nebgen, B.T.; White, A.J.; Gifford, B.J.; Gao, D.W.; Tretiak, S.; Fernandez-Alberti, S.; Roitberg, A.E.

In: Journal of Chemical Theory and Computation. (Journal of Chemical Theory and Computation, 14 August 2018, 14(8):3955-3966)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids

Academic Journal

Nebgen, B.T.; Magurudeniya, H.D.; Kwock, K.W.C.; Ringstrand, B.S.; Zhu, J.-X.; Tretiak, S.; Firestone, M.A.; Ahmed, T.; Seifert, S.

In: Faraday Discussions. (Faraday Discussions, 2018, 206:159-181)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Weak matching of temporal interval graphs of sensors for robust multimodal event detection in noise

Conference

Prasad, L.; Alexandrov, B.S.; Nebgen, B.T.

In: Proceedings of SPIE - The International Society for Optical Engineering, Signal Processing, Sensor/Information Fusion, and Target Recognition XXIX. (Proceedings of SPIE - The International Society for Optical Engineering, 2020, 11423)

Scopus Find it@PNU

Dynamics of a myoglobin mutant enzyme: 2D IR vibrational echo experiments and simulations

Academic Journal

Bagchi, S.; Fayer, M.D.; Nebgen, B.T.; Loring, R.F.

In: Journal of the American Chemical Society. (Journal of the American Chemical Society, 29 December 2010, 132(51):18367-18376)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

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