Articles with public access mandates - Julia E RiceLearn more
Not available anywhere: 1
Kinetic Studies on Guanidine-Superbase-Promoted Ring-Opening Polymerization of ε-Caprolactone
R Yuan, Q Shou, Q Mahmood, G Xu, X Sun, J Wan, Q Wang
Synlett 30 (08), 928-931, 2019
Mandates: Chinese Academy of Sciences
Available somewhere: 17
Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15
LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ...
The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017
Mandates: US National Science Foundation, US National Institutes of Health
Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
IO Sokolov, PK Barkoutsos, PJ Ollitrault, D Greenberg, J Rice, M Pistoia, ...
The Journal of chemical physics 152 (12), 2020
Mandates: Swiss National Science Foundation
Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarization
DS Cerutti, JE Rice, WC Swope, DA Case
The Journal of Physical Chemistry B 117 (8), 2328-2338, 2013
Mandates: US National Institutes of Health
Reducing qubit requirements for quantum simulations using molecular point group symmetries
K Setia, R Chen, JE Rice, A Mezzacapo, M Pistoia, JD Whitfield
Journal of Chemical Theory and Computation 16 (10), 6091-6097, 2020
Mandates: US National Science Foundation, US Department of Energy
ff14ipq: A self-consistent force field for condensed-phase simulations of proteins
DS Cerutti, WC Swope, JE Rice, DA Case
Journal of chemical theory and computation 10 (10), 4515-4534, 2014
Mandates: US National Institutes of Health
Organic acid-catalyzed polyurethane formation via a dual-activated mechanism: unexpected preference of N-activation over O-activation of isocyanates
H Sardon, AC Engler, JMW Chan, JM García, DJ Coady, A Pascual, ...
Journal of the American Chemical Society 135 (43), 16235-16241, 2013
Mandates: Government of Spain
Alchemical prediction of hydration free energies for SAMPL
DL Mobley, S Liu, DS Cerutti, WC Swope, JE Rice
Journal of computer-aided molecular design 26, 551-562, 2012
Mandates: US National Institutes of Health
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
M Motta, TP Gujarati, JE Rice, A Kumar, C Masteran, JA Latone, E Lee, ...
Physical Chemistry Chemical Physics 22 (42), 24270-24281, 2020
Mandates: US National Science Foundation
QM/MM-based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation
CR Vosmeer, AS Rustenburg, JE Rice, HW Horn, WC Swope, DP Geerke
Journal of chemical theory and computation 8 (10), 3839-3853, 2012
Mandates: Swiss National Science Foundation
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
R D’Cunha, TD Crawford, M Motta, JE Rice
The Journal of Physical Chemistry A 127 (15), 3437-3448, 2023
Mandates: US National Science Foundation
Identifying molecular structural aromaticity for hydrocarbon classification
RC Fortenberry, CM Novak, TJ Lee, PP Bera, JE Rice
ACS omega 3 (11), 16035-16039, 2018
Mandates: US National Aeronautics and Space Administration
Structural transition of nanogel star polymers with pH by controlling PEGMA interactions with acid or base copolymers
LE Felberg, A Doshi, GL Hura, J Sly, VA Piunova, WC Swope, JE Rice, ...
Molecular Physics 114 (21), 3221-3231, 2016
Mandates: US National Science Foundation, US Department of Energy, US National …
Role of hydrophilicity and length of diblock arms for determining star polymer physical properties
LE Felberg, DH Brookes, T Head-Gordon, JE Rice, WC Swope
The Journal of Physical Chemistry B 119 (3), 944-957, 2015
Mandates: US Department of Energy
Effect of hydrophobic core topology and composition on the structure and kinetics of star polymers: A molecular dynamics study
AC Carr, LE Felberg, VA Piunova, JE Rice, T Head-Gordon, WC Swope
The Journal of Physical Chemistry B 121 (13), 2902-2918, 2017
Mandates: US National Science Foundation, US Department of Energy
Quantum simulation of electronic structure with transcorrelated Hamiltonian: increasing accuracy without extra quantum resources
M Motta, TP Gujarati, JE Rice, A Kumar, C Masteran, JA Latone, E Lee, ...
arXiv preprint arXiv:2006.02488, 2020
Mandates: US National Science Foundation
Consensus Computational Ligand‐Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha
PB McKay, D Fayne, HW Horn, T James, MB Peters, G Carta, L Caboni, ...
Molecular Informatics 31 (3‐4), 246-258, 2012
Mandates: Higher Education Authority, Ireland, Science Foundation Ireland
Polymer Chemistry
K Fukushima, JM Lecuyer, DS Wei, HW Horn, GO Jones, HA Almegren, ...
Polymer 13 (36), 2022
Mandates: Japan Science and Technology Agency
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