Saber Naserifar
机构: Postdoctral Scholar, California Institue of Technology
每年引用次数
引用次数
引用: 662
H-指数: 14
I10-指数 : 21
出版物: 40
Anomalies in Supercooled Water at ~230 K Arise from Topological Transformation
Saber Naserifar , William A. Goddard
2019 AIChE Annual Meeting
2019
Operando Electrochemical Spectroscopy for CO on Cu(100) at pH 1 to 13: Validation of Grand Canonical Potential Predictions
Saber Naserifar , William A. Goddard , Soonho Kwon , Youn-Geun Kim
ACS Catalysis 11 ( 5) 3173 -3181
4
2021
Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems.
Saber Naserifar , Julius J. Oppenheim , Hao Yang , Tingting Zhou
Journal of Chemical Physics 151 ( 15) 154111
6
2019
Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials
Kuang Liu , Priya Vashishta , Manaschai Kunaseth , Saber Naserifar
2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA)
2
2018
Liquid water is a dynamic polydisperse branched polymer
Saber Naserifar , William A. Goddard
Proceedings of the National Academy of Sciences of the United States of America 116 ( 6) 1998 -2003
23
2019
Toward a Process-Based Molecular Model of SiC Membranes. 2. Reactive Dynamics Simulation of the Pyrolysis of Polymer Precursor To Form Amorphous SiC
Saber Naserifar , William A. Goddard , Lianchi Liu , Theodore T. Tsotsis
Journal of Physical Chemistry C 117 ( 7) 3320 -3329
21
2013
Toward a Process-Based Molecular Model of SiC Membranes. 1. Development of a Reactive Force Field
Saber Naserifar , Lianchi Liu , William A. Goddard , Theodore T. Tsotsis
Journal of Physical Chemistry C 117 ( 7) 3308 -3319
30
2013
Molecular Simulation Study of Gas Solubility and Diffusion in a Polymer-Boron Nitride Nanotube Composite
Congyue Wang , Preeti Jagirdar , Saber Naserifar , Muhammad Sahimi
Journal of Physical Chemistry B 120 ( 7) 1273 -1284
11
2016
General Multiobjective Force Field Optimization Framework, with Application to Reactive Force Fields for Silicon Carbide.
Andres Jaramillo-Botero , Saber Naserifar , William A. Goddard
Journal of Chemical Theory and Computation 10 ( 4) 1426 -1439
67
2014
Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials
Cai-Chao Ye , Qi An , Tao Cheng , Sergey Zybin
Journal of Materials Chemistry 3 ( 22) 12044 -12050
16
2015
First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films.
Saber Naserifar , William A. Goddard , Theodore T. Tsotsis , Muhammad Sahimi
Journal of Chemical Physics 142 ( 17) 174703
7
2015
Toward a process-based molecular model of SiC membranes: III. Prediction of transport and separation of binary gaseous mixtures based on the atomistic reactive force field
Saber Naserifar , Theodore T. Tsotsis , William A. Goddard III , Muhammad Sahimi
Journal of Membrane Science 473 85 -93
9
2015
Interface Structure in Li-Metal/[Pyr14][TFSI]-Ionic Liquid System from ab Initio Molecular Dynamics Simulations.
Boris V. Merinov , Sergey V. Zybin , Saber Naserifar , Sergey Morozov
Journal of Physical Chemistry Letters 10 ( 16) 4577 -4586
7
2019
Anomalies in Supercooled Water at ∼230 K Arise from a 1D Polymer to 2D Network Topological Transformation.
Saber Naserifar , William A. Goddard
Journal of Physical Chemistry Letters 10 ( 20) 6267 -6273
5
2019
Reply to Head-Gordon and Paesani: Liquid water, a branched polymer with ∼100-fs short-lived heterogeneous hydrogen bonds.
Saber Naserifar , William A. Goddard
Proceedings of the National Academy of Sciences of the United States of America 116 ( 41) 20257 -20258
2
2019
Artificial Intelligence and QM/MM with a Polarizable Reactive Force Field for Next-Generation Electrocatalysts
Saber Naserifar , Yalu Chen , Soonho Kwon , Hai Xiao
Matter 4 ( 1) 195 -216
24
2021
Li-diffusion at the interface between Li-metal and [Pyr14][TFSI]-ionic liquid: Ab initio molecular dynamics simulations
Boris V. Merinov , Saber Naserifar , Sergey V. Zybin , Sergey Morozov
Journal of Chemical Physics 152 ( 3) 031101
4
2020
Polarizable Charge Equilibration Model for Transition-Metal Elements.
Soonho Kwon , Saber Naserifar , Hyuck Mo Lee , William A. Goddard
Journal of Physical Chemistry A 122 ( 48) 9350 -9358
5
2018
Thermokinetic study on the phase evolution of mechanically alloyed Ni-B powders
Masoud Nazarian-Samani , Ali Reza Kamali , Mahboobeh Nazarian-Samani , Roohallah Mobarra
Journal of Thermal Analysis and Calorimetry 107 ( 1) 265 -269
2
2012
Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids
Saber Naserifar , Daniel J. Brooks , William A. Goddard , Vaclav Cvicek
Journal of Chemical Physics 146 ( 12) 124117
50
2017