scholarly journals Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field

2014 ◽  
Vol 47 (9) ◽  
pp. 2812-2820 ◽  
Author(s):  
Timothy J. Giese ◽  
Ming Huang ◽  
Haoyuan Chen ◽  
Darrin M. York
Keyword(s):  
Force Field ◽  
General Purpose ◽  
Linear Scaling ◽  
Recent Advances ◽  
Quantum Force

scholarly journals Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions

2014 ◽  
Vol 10 (3) ◽  
pp. 1086-1098 ◽  
Author(s):  
Timothy J. Giese ◽  
Haoyuan Chen ◽  
Ming Huang ◽  
Darrin M. York
Keyword(s):  
Force Field ◽  
Noncovalent Interactions ◽  
Linear Scaling ◽  
Quantum Force

Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase

2008 ◽  
Vol 29 (8) ◽  
pp. 1242-1249 ◽  
Author(s):  
Alexander G. Donchev ◽  
Nikolay G. Galkin ◽  
Alexey A. Illarionov ◽  
Oleg V. Khoruzhii ◽  
Michael A. Olevanov ◽  
...  
Keyword(s):  
Force Field ◽  
Condensed Phase ◽  
General Purpose ◽  
Polarizable Force Field ◽  
Assessment Of Performance

scholarly journals A first step towards quantum energy potentials of electron pairs

2019 ◽  
Vol 21 (8) ◽  
pp. 4215-4223 ◽  
Author(s):  
Julen Munárriz ◽  
Rubén Laplaza ◽  
A. Martín Pendás ◽  
Julia Contreras-García
Keyword(s):  
Force Field ◽  
Electron Pairs ◽  
Quantum Energy ◽  
Quantum Force

A first step towards the construction of a quantum force field for electron pairs in direct space is taken.

Derivation of Class II Force Fields. III. Characterization of a Quantum Force Field for Alkanes

1994 ◽  
Vol 34 (2) ◽  
pp. 195-231 ◽  
Author(s):  
J.R. Maple ◽  
M.-J. Hwang ◽  
T.P. Stockfisch ◽  
A.T. Hagler
Keyword(s):  
Force Field ◽  
Force Fields ◽  
Class Ii ◽  
Quantum Force

Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds

1998 ◽  
Vol 19 (4) ◽  
pp. 430-458 ◽  
Author(s):  
J. R. Maple ◽  
M.-J. Hwang ◽  
K. J. Jalkanen ◽  
T. P. Stockfisch ◽  
A. T. Hagler
Keyword(s):  
Force Field ◽  
Force Fields ◽  
Class Ii ◽  
Quantum Force ◽  
Related Compounds

scholarly journals Towards a General-Purpose Linguistic Annotation Backend

2019 ◽  
Vol 2 (1) ◽  
Author(s):  
Graham Neubig ◽  
Patrick Littell ◽  
Chian-Yu Chen ◽  
Jean Lee ◽  
Zirui Li ◽  
...  
Keyword(s):  
Neural Networks ◽  
Natural Language Processing ◽  
Natural Language ◽  
Language Processing ◽  
General Purpose ◽  
Language Documentation ◽  
Training Material ◽  
Future Directions ◽  
Recent Advances ◽  
Linguistic Annotation

Language documentation is inherently a time-intensive process; transcription, glossing, and corpus management consume a significant portion of documentary linguists’ work. Advances in natural language processing can help to accelerate this work, using the linguists’ past decisions as training material, but questions remain about how to prioritize human involvement. In this extended abstract, we describe the beginnings of a new project that will attempt to ease this language documentation process through the use of natural language processing (NLP) technology. It is based on (1) methods to adapt NLP tools to new languages, based on recent advances in massively multilingual neural networks, and (2) backend APIs and interfaces that allow linguists to upload their data (§2). We then describe our current progress on two fronts: automatic phoneme transcription, and glossing (§3). Finally, we briefly describe our future directions (§4).

Validation of the general purpose tripos 5.2 force field

1989 ◽  
Vol 10 (8) ◽  
pp. 982-1012 ◽  
Author(s):  
Matthew Clark ◽  
Richard D. Cramer ◽  
Nicole Van Opdenbosch
Keyword(s):  
Force Field ◽  
General Purpose
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