Machine learning of correlated dihedral potentials for atomistic molecular force fields
出版年份 2018 全文链接
标题
Machine learning of correlated dihedral potentials for atomistic molecular force fields
作者
关键词
-
出版物
Scientific Reports
Volume 8, Issue 1, Pages -
出版商
Springer Nature
发表日期
2018-02-01
DOI
10.1038/s41598-018-21070-0
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors
- (2016) Pascal Friederich et al. ADVANCED FUNCTIONAL MATERIALS
- Charge Transport by Superexchange in Molecular Host-Guest Systems
- (2016) Franz Symalla et al. PHYSICAL REVIEW LETTERS
- Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties
- (2015) Pascal Kordt et al. ADVANCED FUNCTIONAL MATERIALS
- Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
- (2014) Katarzyna B. Koziara et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Moltemplate a Coarse-Grained Model Assembly Tool
- (2013) Andrew I. Jewett et al. BIOPHYSICAL JOURNAL
- Charge Group Partitioning in Biomolecular Simulation
- (2013) Stefan Canzar et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- Modeling disordered morphologies in organic semiconductors
- (2013) Tobias Neumann et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Molecular-scale simulation of electroluminescence in a multilayer white organic light-emitting diode
- (2013) Murat Mesta et al. NATURE MATERIALS
- SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
- (2012) T. Strunk et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
- (2012) James J. P. Stewart JOURNAL OF MOLECULAR MODELING
- Definition and testing of the GROMOS force-field versions 54A7 and 54B7
- (2011) Nathan Schmid et al. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
- An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
- (2011) Alpeshkumar K. Malde et al. Journal of Chemical Theory and Computation
- On the Validation of Molecular Dynamics Simulations of Saturated andcis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment
- (2009) David Poger et al. Journal of Chemical Theory and Computation
- A new force field for simulating phosphatidylcholine bilayers
- (2009) David Poger et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3)
- (2008) J. J. Kwiatkowski et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now