| Shape matters: effect of 1D, 2D, and 3D isovolumetric quantum confinement in semiconductor nanoparticles JA Scher, JM Elward, A Chakraborty The Journal of Physical Chemistry C 120 (43), 24999-25009, 2016 | 33 | 2016 |
| Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures JA Scher, MG Bayne, A Srihari, S Nangia, A Chakraborty The Journal of Chemical Physics 149 (1), 2018 | 10 | 2018 |
| Linked-Cluster Formulation of Electron–Hole Interaction Kernel in Real-Space Representation without Using Unoccupied States MG Bayne, JA Scher, BH Ellis, A Chakraborty Journal of Chemical Theory and Computation 14 (7), 3656-3666, 2018 | 5 | 2018 |
| Model for humidity-mediated diffusion on aluminum surfaces and its role in accelerating atmospheric aluminum corrosion JA Scher, SE Weitzner, Y Hao, TW Heo, ST Castonguay, S Aubry, ... ACS Applied Materials & Interfaces 15 (23), 28716-28730, 2023 | 3 | 2023 |
| Evidence of skewness and sub-Gaussian character in temperature-dependent distributions of one million electronic excitation energies in PbS quantum dots JA Scher, N Govind, A Chakraborty The Journal of Physical Chemistry Letters 11 (3), 986-992, 2020 | 3 | 2020 |
| Predicted Fracture Tendency of Naturally Occurring Aluminum Surface Coatings under Tensile Loading JA Scher, B Foley, M Murialdo, Y Hao, TW Heo, SE Weitzner, S Aubry, ... ACS Applied Materials & Interfaces 16 (19), 25445-25461, 2024 | | 2024 |
| Modeling Fracture in Protective Aluminum Surface Materials Exposed to Crystal Defects J Scher, TW Heo, S Weitzner, Y Hao, S Castonguay, S Aubry, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Transport and wetting of moisture adsorbed on the surfaces of high explosives J Scher, S Aubry, M Kroonblawd Bulletin of the American Physical Society 68, 2023 | | 2023 |
| Towards A Multiscale Model Of Aluminum Corrosion: Assessing The Strength Of Protective Oxide Films J Scher, TW Heo, S Weitzner, Y Hao, S Castonguay, S Aubry, ... APS March Meeting Abstracts 2023, T00. 098, 2023 | | 2023 |
| Towards A Multiscale Model Of Aluminum Corrosion: Atomistic Insights Into Metal Ion Transport At The Water/Alumina Interface J Scher, TW Heo, S Weitzner, Y Hao, M Kroonblawd APS March Meeting Abstracts 2023, M32. 011, 2023 | | 2023 |
| Multiscale modeling of a mechanochemical degradation path in aluminum surface coatings J Scher, TW Heo, S Weitzner, Y Hao, M Kroonblawd APS March Meeting Abstracts 2022, F66. 007, 2022 | | 2022 |
| First Principles Derivation of the Effect of Geometric Noise on Distributions of Electronic Properties using the Effective Stochastic Kohn-Sham Potential Method J Scher, A Chakraborty Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Development and Application of Effective Stochastic Potential Method for Investigating Temperature-Dependent Electronic Properties of Nanomaterials JA Scher Syracuse University, 2020 | | 2020 |
| Highly efficient conformational sampling of in vivo SERCA activator CDN1163 for determination of thermal and solvent effects on its excited state properties J Scher, A Chakraborty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Computational investigation of the thermal stability and temperature-dependent electronic properties of highly energetic material TKX-50 J Scher, A Chakraborty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Determining the effect of hydration shell on the spectra of proteolysis targeting chimera MD-224 by efficiently sampling conformations using the effective stochastic potential … J Scher, A Chakraborty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Investigating the effect of solvatochromism in thermally activated delayed fluorescence emitters exhibiting circularly polarized luminescence J Scher, A Chakraborty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Development of effective stochastic potential method using random matrix theory for calculation of ensemble-averaged quantum mechanical properties at non-zero temperatures J Scher, A Chakraborty APS March Meeting Abstracts 2019, F21. 011, 2019 | | 2019 |
| Investigation of effect of temperature and size on the ionization potential of semiconductor clusters using effective stochastic potential method S Ali, J Scher, A Chakraborty APS March Meeting Abstracts 2019, P32. 007, 2019 | | 2019 |
| Effect of structure on quasiparticle gap in semiconductor quantum dots S Ali, J Scher, A Chakraborty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
