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  1.  

    Scalable molecular dynamics on CPU and GPU architectures with NAMD

    Phillips, James C. / Hardy, David J. / Maia, Julio D. C. et al. | American Institute of Physics | 2020
  2.  

    Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids

    Bernardino, Kalil / Zhang, Yong / Ribeiro, Mauro C. C. et al. | American Institute of Physics | 2020
  3.  

    Inertial effects on trapped active matter

    Gutierrez-Martinez, Luis L. / Sandoval, Mario | American Institute of Physics | 2020
  4.  

    Water mediated electron attachment to nucleobases: Surface-bound vs bulk solvated electrons

    Mukherjee, Madhubani / Tripathi, Divya / Dutta, Achintya Kumar | American Institute of Physics | 2020
  5.  

    Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure

    Peng, Chong / Lewis, Cannada A. / Wang, Xiao et al. | American Institute of Physics | 2020
  6.  

    Spin polarization as an electronic cooperative effect

    Ben Amor, Nadia / Noûs, Camille / Trinquier, Georges et al. | American Institute of Physics | 2020
  7.  

    Quantum dynamics origin of high photocatalytic activity of mixed-phase anatase/rutile TiO2

    Wei, Yaqing / Tokina, Marina V. / Benderskii, Alexander V. et al. | American Institute of Physics | 2020
  8.  

    Analytic gradients for spin multiplets in natural orbital functional theory

    Mitxelena, Ion / Piris, Mario | American Institute of Physics | 2020
  9.  

    Self-assembly and entropic effects in pear-shaped colloid systems. I. Shape sensitivity of bilayer phases in colloidal pear-shaped particle systems

    Schönhöfer, Philipp W. A. / Marechal, Matthieu / Cleaver, Douglas J. et al. | American Institute of Physics | 2020
  10.  

    Demixing and tetratic ordering in some binary mixtures of hard superellipses

    Mizani, Sakine / Gurin, Péter / Aliabadi, Roohollah et al. | American Institute of Physics | 2020
  11.  

    Resistive amplitude fingerprints during translocation of linear molecules through charged solid-state nanopores

    Sensale, Sebastian / Wang, Ceming / Chang, Hsueh-Chia | American Institute of Physics | 2020
  12.  

    Optical properties of charged excitons in two-dimensional semiconductors

    Glazov, M. M. | American Institute of Physics | 2020
  13.  

    Photoisomerization-coupled electron transfer

    Sowa, Jakub K. / Weiss, Emily A. / Seideman, Tamar | American Institute of Physics | 2020
  14.  

    Femtosecond stimulated Raman spectro-microscopy for probing chemical reaction dynamics in solid-state materials

    Cassabaum, Alyssa A. / Bera, Kajari / Rich, Christopher C. et al. | American Institute of Physics | 2020
  15.  

    On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature

    Begušić, Tomislav / Vaníček, Jiří | American Institute of Physics | 2020
  16.  

    Delocalization effects in singlet fission: Comparing models with two and three interacting molecules

    Accomasso, Davide / Granucci, Giovanni / Wibowo, Meilani et al. | American Institute of Physics | 2020
  17.  

    Semiglobal diabatic potential energy matrix for the N–H photodissociation of methylamine

    Parker, Kelsey A. / Truhlar, Donald G. | American Institute of Physics | 2020

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