| Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics AM Virshup, C Punwong, TV Pogorelov, BA Lindquist, C Ko, TJ Martinez The Journal of Physical Chemistry B 113 (11), 3280-3291, 2009 | 293 | 2009 |
| Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview BA Lindquist, KE Furse, SA Corcelli Physical chemistry chemical physics 11 (37), 8119-8132, 2009 | 174 | 2009 |
| Nitrile Groups as Vibrational Probes: Calculations of the C N Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran BA Lindquist, SA Corcelli The Journal of Physical Chemistry B 112 (20), 6301-6303, 2008 | 104 | 2008 |
| Inverse methods for design of soft materials ZM Sherman, MP Howard, BA Lindquist, RB Jadrich, TM Truskett The Journal of chemical physics 152 (14), 2020 | 72 | 2020 |
| Communication: Inverse design for self-assembly via on-the-fly optimization BA Lindquist, RB Jadrich, TM Truskett The Journal of Chemical Physics 145 (11), 2016 | 65 | 2016 |
| Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges A Singh, BA Lindquist, GK Ong, RB Jadrich, A Singh, H Ha, CJ Ellison, ... Angewandte Chemie International Edition 54 (49), 14840-14844, 2015 | 54 | 2015 |
| Probabilistic inverse design for self-assembling materials RB Jadrich, BA Lindquist, TM Truskett The Journal of Chemical Physics 146 (18), 2017 | 53 | 2017 |
| Assembly of nothing: Equilibrium fluids with designed structured porosity BA Lindquist, RB Jadrich, TM Truskett Soft Matter 12 (10), 2663-2667, 2016 | 52 | 2016 |
| Insights into the electronic structure of molecules from generalized valence bond theory TH Dunning Jr, LT Xu, TY Takeshita, BA Lindquist The Journal of Physical Chemistry A 120 (11), 1763-1778, 2016 | 51 | 2016 |
| Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran BA Lindquist, RT Haws, SA Corcelli The Journal of Physical Chemistry B 112 (44), 13991-14001, 2008 | 50 | 2008 |
| Unsupervised machine learning for detection of phase transitions in off-lattice systems. I. Foundations RB Jadrich, BA Lindquist, TM Truskett The Journal of chemical physics 149 (19), 2018 | 48 | 2018 |
| Equilibrium cluster fluids: Pair interactions via inverse design RB Jadrich, JA Bollinger, BA Lindquist, TM Truskett Soft Matter 11 (48), 9342-9354, 2015 | 46 | 2015 |
| On the formation of equilibrium gels via a macroscopic bond limitation BA Lindquist, RB Jadrich, DJ Milliron, TM Truskett The Journal of Chemical Physics 145 (7), 2016 | 44 | 2016 |
| Interactions and design rules for assembly of porous colloidal mesophases BA Lindquist, S Dutta, RB Jadrich, DJ Milliron, TM Truskett Soft Matter 13 (7), 1335-1343, 2017 | 38 | 2017 |
| Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O3 and SO2 TY Takeshita, BA Lindquist, TH Dunning Jr The Journal of Physical Chemistry A 119 (28), 7683-7694, 2015 | 38 | 2015 |
| Solvation dynamics of Hoechst 33258 in water: an equilibrium and nonequilibrium molecular dynamics study KE Furse, BA Lindquist, SA Corcelli The Journal of Physical Chemistry B 112 (10), 3231-3239, 2008 | 36 | 2008 |
| Gelation of plasmonic metal oxide nanocrystals by polymer-induced depletion attractions CA Saez Cabezas, GK Ong, RB Jadrich, BA Lindquist, A Agrawal, ... Proceedings of the National Academy of Sciences 115 (36), 8925-8930, 2018 | 35 | 2018 |
| Inverse design of multicomponent assemblies WD Piņeros, BA Lindquist, RB Jadrich, TM Truskett The Journal of Chemical Physics 148 (10), 2018 | 35 | 2018 |
| Structure and phase behavior of polymer-linked colloidal gels MP Howard, RB Jadrich, BA Lindquist, F Khabaz, RT Bonnecaze, ... The Journal of Chemical Physics 151 (12), 2019 | 34 | 2019 |
| Communication: From close-packed to topologically close-packed: Formation of Laves phases in moderately polydisperse hard-sphere mixtures BA Lindquist, RB Jadrich, TM Truskett The Journal of Chemical Physics 148 (19), 2018 | 31 | 2018 |
