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Method in computational chemistry
Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual "explicit" solvent
Implicit_solvation
Approaches for approximating solutions to differential equations
Y(t+\Delta t).} Implicit methods require an extra computation (solving the above equation), and they can be much harder to implement. Implicit methods are
Explicit_and_implicit_methods
Topics referred to by the same term
arithmetic Implicit learning, in learning psychology Implicit memory, in long-term human memory Implicit solvation, in computational chemistry Implicit stereotype
Implicit
Method in computational chemistry
Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models".
Solvent_model
Aspect of computational chemistry
models is to use an implicit solvation model, also termed a continuum model. Examples of this type of model include the COSMO solvation model, the polarizable
Water_model
Modification of the Euler method for solving Hamilton's equations
In mathematics, the semi-implicit Euler method, also called symplectic Euler, semi-explicit Euler, Euler–Cromer, and Newton–Størmer–Verlet (NSV), is a
Semi-implicit_Euler_method
On converting relations to functions of several real variables
always possible to solve the equation F ( x , y ) = 0 {\displaystyle F(x,y)=0} for y {\displaystyle y} algebraically, and the implicit function theorem
Implicit_function_theorem
Use of classical mechanics to model molecular systems
computationally intensive. A compromise method has been found in implicit solvation, which replaces the explicitly represented water molecules with a
Molecular_mechanics
Process of achieving a goal by overcoming obstacles
Retrieved 2019-06-09. Berry, Dianne C.; Broadbent, Donald E. (1995). "Implicit learning in the control of complex systems: A reconsideration of some of
Problem_solving
Type of long-term human memory
In psychology, implicit memory is one of the two main types of long-term human memory. It is acquired and used unconsciously, and can affect thoughts and
Implicit_memory
Capacity of a substance to dissolve in a homogeneous way
helpful as calculating the free energy of solvation directly is extremely difficult. The free energy of solvation can be converted to a solubility value
Solubility
Computer program
been subsequently acquired by Schrödinger, Inc. in 2000. Implicit solvation (continuum solvation) model, Generalized Born model augmented with the hydrophobic
MacroModel
Mathematical operation in calculus
. The method is an application of the chain rule. Implicit differentiation is useful when solving explicitly for one variable is inconvenient, produces
Implicit_differentiation
Chemical property measurement
Classification System Cheminformatics Chemistry Development Kit JOELib Implicit solvation Lipinski's rule of five Pajouhesh H, Lenz GR (Oct 2005). "Medicinal
Polar_surface_area
Surface area of a biomolecule accessible to a solvent
in 1984. Connolly spent several more years perfecting the method. Implicit solvation Van der Waals surface VADAR tool for analyzing peptide and protein
Accessible_surface_area
Database of protein structures
lipid bilayer. Positions of the proteins are calculated using an implicit solvation model of the lipid bilayer. The results of calculations were verified
Orientations of Proteins in Membranes database
Orientations_of_Proteins_in_Membranes_database
Scientific theory
U(X))-k^{2}){\rm {d}}t}} Hamiltonian mechanics Statistical mechanics Implicit solvation Stochastic differential equations Langevin equation Langevin Monte
Langevin_dynamics
Discovering chemical properties by physical simulations
estimated using an empirical mathematical expression; these are termed implicit solvation simulations. Most force fields are distance-dependent, making the
Molecular_modelling
American chemist
electrostatics, Lennard-Jones potentials for van der Waals interactions, and implicit solvation. The legacy of Kollman's AMBER force field extends further into modern
Peter_Kollman
American physician and computer scientist
contributions to the k-d tree and to the generalized Born model of implicit solvation. "System Using Computed Tomography as for Selective Body Treatment"
Russell_A._Brown
Change of a linear protein chain to a 3D structure
thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model". Journal of Molecular Biology. 284 (3): 835–48. doi:10.1006/jmbi
Protein_folding
Differential equation containing derivatives with respect to only one variable
differential equation of order n {\displaystyle n} . More generally, an implicit ordinary differential equation of order n {\displaystyle n} takes the form:
Ordinary differential equation
Ordinary_differential_equation
Family of implicit and explicit iterative methods
Runge–Kutta methods (English: /ˈrʊŋəˈkʊtɑː/ RUUNG-ə-KUUT-tah) are a family of implicit and explicit iterative methods, which include the Euler method, used in
Runge–Kutta_methods
Mathematical relation consisting of a multi-variable function equal to zero
In mathematics, an implicit equation is a relation of the form R ( x 1 , … , x n ) = 0 , {\displaystyle R(x_{1},\dots ,x_{n})=0,} where R is a function
Implicit_function
Finite difference method for numerically solving parabolic differential equations
for numerically solving the heat equation and similar partial differential equations. It is a second-order method in time. It is implicit in time, can be
Crank–Nicolson_method
Criminal scheme of recurrent extortion
threaten the business into accepting this service, often with the threat (implicit or otherwise) that failure to acquire the offered services will lead to
Racketeering
Cognitive processes outside conscious awareness or control
processes in which implicit memory works, which include learning, our social cognition, and our problem-solving skills. Implicit cognition was first
Implicit_cognition
Distributed computing project simulating protein folding
explicit solvation calculations in which the surrounding solvent (usually water) is modeled atom-by-atom; while others perform implicit solvation methods
Folding@home
Plane curve defined by an implicit equation
In mathematics, an implicit curve is a plane curve defined by an implicit equation relating two coordinate variables, commonly x and y. For example, the
Implicit_curve
Iterative method for solving the Sylvester matrix equations
alternating-direction implicit (ADI) method is an iterative method used to solve Sylvester matrix equations. It is a popular method for solving the large matrix
Alternating-direction implicit method
Alternating-direction_implicit_method
Algorithmically defined graph
In the study of graph algorithms, an implicit graph representation (or more simply implicit graph) is a graph whose vertices or edges are not represented
Implicit_graph
AI thought experiment
It is used as an example of principles such as Bayesian probability and implicit religion. It is also regarded as a version of Pascal's wager. The LessWrong
Roko's_basilisk
Selenium-containing amino acid
Calculation of p K a 's of Selenols in Aqueous Solution Using an Implicit Solvation Model and Explicit Water Molecules". The Journal of Physical Chemistry
Selenocysteine
Expression for sums of powers
{8}{3}}n^{3}+{\frac {16}{5}}n^{5}\\\end{pmatrix}}.} The following formula implicitly solves the problem using Bernoulli polynomials: S h , d p ( n ) = d p p +
Faulhaber's_formula
Implicit computational complexity (ICC) is a subfield of computational complexity theory that characterizes programs by constraints on the way in which
Implicit computational complexity
Implicit_computational_complexity
Concepts in social and developmental psychology
In social and developmental psychology, an individual's implicit theory of intelligence refers to his or her fundamental underlying beliefs regarding whether
Implicit theories of intelligence
Implicit_theories_of_intelligence
Computer graphics simulation of deformable objects
to a Gauss-Seidel solution of the implicit matrix system for the mass-spring model. Care must be taken though to solve the constraints in the same sequence
Soft-body_dynamics
Periods of currency instability
the government abandoned printing Zimbabwean dollars entirely. This implicitly solved the chronic problem of lack of confidence in the Zimbabwean dollar
Hyperinflation_in_Zimbabwe
Software for finite element analysis
core product, eventually known as ABAQUS/Standard which is an implicit finite element solver, was complemented by other software packages including ABAQUS/Explicit
Abaqus
Computational chemistry software package
Pt(111)/Water Interface: A Micro- to Mesoscopic Investigation by AIMD and Implicit Solvation". ACS Electrochemistry. 1 (2): 186–194. doi:10.1021/acselectrochem
Car–Parrinello molecular dynamics
Car–Parrinello_molecular_dynamics
Intermolecular forces between oppositely-charged sites on molecules
Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model". The Journal of Physical Chemistry A. 115 (17): 4467–4475.
Sigma_hole_interactions
Problem in finite group theory
groups have been carried out using various normal forms. These usually implicitly solve the word problem for the groups in question. In 1911 Max Dehn proposed
Word_problem_for_groups
Mathematical technique used to solve a certain class of partial differential equations
mover can be split into two categories, implicit and explicit solvers. While implicit solvers (e.g. implicit Euler scheme) calculate the particle velocity
Particle-in-cell
Visibility in 3D computer graphics
scene. Although not a hidden-surface removal algorithm as such, it implicitly solves the hidden-surface removal problem by finding the nearest surface
Hidden-surface_determination
Surface in 3D space defined by an implicit function of three variables
the set of zeros of a function of three variables. Implicit means that the equation is not solved for x or y or z. The graph of a function is usually
Implicit_surface
The moving particle semi-implicit (MPS) method is a computational method for the simulation of incompressible free surface flows. It is a macroscopic,
Moving particle semi-implicit method
Moving_particle_semi-implicit_method
File format
more efficient base64 format as <[ b64... ]>. The 8-bit problem is implicitly solved as well, as most deployments use UTF-8. GNUstep also has its own binary
Property_list
Subdivision of space into cells
Publication 2166: 463–478. Venkatakrishnan, V; Mavriplis, D. J (May 1991). "Implicit solvers for unstructured meshes". Journal of Computational Physics. 105 (1):
Mesh_generation
Numerical method for ordinary differential equations
numerical analysis and scientific computing, the backward Euler method (or implicit Euler method) is one of the most basic numerical methods for the solution
Backward_Euler_method
American chemist
particularly notable feature of MacroModel was the inclusion of an implicit solvation model known as GB/SA (generalized Born model augmented with the hydrophobic
W._Clark_Still
Methods used to find numerical solutions of ordinary differential equations
backward Euler method: The backward Euler method is an implicit method, meaning that we have to solve an equation to find yn+1. One often uses fixed-point
Numerical methods for ordinary differential equations
Numerical_methods_for_ordinary_differential_equations
client until it was retired in November 2012. This core performed implicit solvation calculations like the GPU cores, but was also capable of running explicit
List_of_Folding@home_cores
Tempczyk A, Hawley RC, Hendrickson T (1990). "Semianalytical treatment of solvation for molecular mechanics and dynamics". J Am Chem Soc. 112 (16): 6127–6129
Abalone_(molecular_mechanics)
Computational biologist
Jaramillo A, Wodak SJ. (2005), "Protein design is a challenge for implicit solvation models," Biophysical J., January 88(1), pp. 156-71. Scholia has an
Shoshana_Wodak
Mathematical connection between field theory and group theory
issue does not arise in the classical framework, since it was always implicitly assumed that arithmetic took place in characteristic zero, but nonzero
Galois_theory
Computer approximation for real numbers
or comma) there. If the radix point is not specified, then the string implicitly represents an integer and the unstated radix point would be off the right-hand
Floating-point_arithmetic
Inherent parallelism in expressed computation
focusing instead on the problem that their program is intended to solve. Implicit parallelism generally facilitates the design of parallel programs and
Implicit_parallelism
Type of artificial neural network
In machine learning, a neural field (also known as implicit neural representation, neural implicit, or coordinate-based neural network), is a mathematical
Neural_field
Mathematical functions in chemistry
ligand and of the protein are sometimes taken into account using implicit solvation methods such as GBSA or PBSA. Empirical – based on counting the number
Scoring_functions_for_docking
Processing of natural language by a computer
Natural language understanding below). Semantic role labelling (see also implicit semantic role labelling below) Given a single sentence, identify and disambiguate
Natural_language_processing
Economic theory of voluntary agreements
In economics, implicit contracts refer to voluntary and self-enforcing long term agreements made between two parties regarding the future exchange of goods
Implicit_contract_theory
y_{n}+h\sum _{j=1}^{i-1}a_{ij}k_{j}\right).\end{aligned}}} Stages for implicit methods of s stages take the more general form, with the solution to be
List_of_Runge–Kutta_methods
Numeric solution for differential equations
y(t_{0})=y_{0}.} The explicit midpoint method is given by the formula the implicit midpoint method by for n = 0 , 1 , 2 , … {\displaystyle n=0,1,2,\dots }
Midpoint_method
Class of numerical techniques
This is an implicit method for solving the one-dimensional heat equation. One can obtain u j n + 1 {\displaystyle u_{j}^{n+1}} from solving a system of
Finite_difference_method
methods require a heavy computational penalty due to the requirement to implicitly solve for the next system state. Finally, QSS methods satisfy remarkable
Quantized state systems method
Quantized_state_systems_method
American mathematician and Nobel Laureate (1928–2015)
fundamental aspect of the proof is an implicit function theorem for isometric embeddings. The usual formulations of the implicit function theorem are inapplicable
John_Forbes_Nash_Jr.
Representation of a curve by a function of a parameter
{\displaystyle x=f(t),\ y=g(t).} This process is called implicitization. If one of these equations can be solved for t, the expression obtained can be substituted
Parametric_equation
Algorithm to search the nodes of a graph
search to find a winning position for White. Implicit trees (such as game trees or other problem-solving trees) may be of infinite size; breadth-first
Breadth-first_search
Finding values for variables that make an equation true
methods for solving this kind of problems are now called symbolic integration.[citation needed] Solutions of differential equations can be implicit or explicit
Equation_solving
Form of ambivalent racial prejudice
assessing implicit racism is through response latency procedures, such as the implicit-association test (IAT). In an IAT measuring implicit racism, individuals
Aversive_racism
Extension to File Transfer Protocol (FTP) that adds security
developed to invoke client security for use with FTP clients: Implicit and Explicit. While the implicit method requires that a Transport Layer Security is established
FTPS
Awareness of facts
knowledge of facts, concepts, and principles as well as explicit and implicit knowledge. Declarative knowledge is often contrasted with practical knowledge
Declarative_knowledge
Faculty of mind to store and retrieve data
often understood as an information processing system with explicit and implicit functioning that is made up of a sensory processor, short-term (or working)
Memory
High-level software environment
User Group Conference. Fosso-Tande, Jacob; Harrison, Robert (2013). "Implicit solvation models in a multiresolution multiwavelet basis". Chemical Physics
MADNESS
Unconscious memory used to perform tasks
Procedural memory is a type of implicit memory (unconscious, long-term memory) which aids the performance of particular types of tasks without conscious
Procedural_memory
Computational fluid dynamics algorithm
a widely used numerical procedure to solve the Navier–Stokes equations. SIMPLE is an acronym for Semi-Implicit Method for Pressure Linked Equations.
SIMPLE_algorithm
Aqueous cation H3O+
yet to fully characterize the solvation of hydronium ion in water, in part because many different meanings of solvation exist. A freezing-point depression
Hydronium
Algorithm in computational fluid dynamics
PISO algorithm (Pressure-Implicit with Splitting of Operators) was proposed by Issa in 1986 without iterations and with large time steps and a lesser computing
PISO_algorithm
Differential equation exhibiting high rate of dissipation
T]} effectively stalls. By contrast, implicit methods for stiff equations require costly "algebraic" equation solving on each step. The extra work per step
Stiff_equation
Numerical method
not appear. It is a fourth-order linear multistep method. The method is implicit, but can be made explicit if the differential equation is linear. Numerov's
Numerov's_method
Iterative method in conformal mapping
each of which the Dirichlet problem could be solved, Schwarz described an iterative method for solving the Dirichlet problem in their union, provided
Schwarz_alternating_method
Machine learning framework
} where the kernel κ ϕ {\displaystyle \kappa _{\phi }} is a learnable implicit neural network, parametrized by ϕ {\displaystyle \phi } . In practice,
Neural_operators
Automated planner
is in Room1. In this case, actions can have free variables, which are implicitly existentially quantified. In other words, an action represents all possible
Stanford Research Institute Problem Solver
Stanford_Research_Institute_Problem_Solver
Financial mathematical measure
for its inverse, g. Instead, a root finding technique is often used to solve the equation: f ( σ C ¯ , ⋅ ) − C ¯ = 0 {\displaystyle f(\sigma _{\bar {C}}
Implied_volatility
poor facial recognition, something widely observed for M-LFA individuals. Implicit memory, also known as non-declarative memory, appears to be relatively
Autism_and_memory
Mathematical method for optimizing material layout under given conditions
third medium contact method. The third medium contact (TMC) method is an implicit contact formulation that is continuous and differentiable. This makes TMC
Topology_optimization
Amount of resources to perform an algorithm
the model of computation is not explicitly specified, it is generally implicitly assumed to be a multitape Turing machine, since several more realistic
Computational_complexity
Absence of belief in the existence of deities; the opposite of theism
that this child does not believe in god qualifies him as an atheist." Implicit atheism is "the absence of theistic belief without a conscious rejection
Atheism
Theorem in mathematics
x_{n})} , provided the Jacobian matrix is invertible. The implicit function theorem allows to solve a more general system of equations: f 1 ( x , y ) = 0
Inverse_function_theorem
Conceptual framework used in numerical analysis of surfaces and shapes
normal direction with a speed v {\displaystyle v} , then by chain rule and implicit differentiation, it can be determined that the level-set function φ {\displaystyle
Level-set_method
Numerical method for solving ordinary differential equations
The backward differentiation formula (BDF) is a family of implicit methods for the numerical integration of ordinary differential equations. They are linear
Backward differentiation formula
Backward_differentiation_formula
applications. An important feature of CLARION is the distinction between implicit and explicit processes and focusing on capturing the interaction between
CLARION (cognitive architecture)
CLARION_(cognitive_architecture)
Mathematical condition for convergence
used to solve the discretised equation, especially depending on whether the method is explicit or implicit. If an explicit (time-marching) solver is used
Courant–Friedrichs–Lewy condition
Courant–Friedrichs–Lewy_condition
Human emotional need
processing thought to be linked to implicit self-esteem, including the name letter task (or initial preference task) and the Implicit Association Task. Such indirect
Self-esteem
Algorithms in numerical analysis
method typically uses an explicit method for the predictor step and an implicit method for the corrector step. A simple predictor–corrector method (known
Predictor–corrector_method
Sliding puzzle with fifteen pieces and one space
doi:10.1016/S0747-7171(08)80001-6. Richard E. Korf, Linear-time disk-based implicit graph search, Journal of the ACM Volume 55 Issue 6 (December 2008), Article
15_puzzle
Development approach in manufacturing industry
Hybrid Approach to Substructuring Problems Using Mixed Assembly and Implicit Solving Strategies". Linking Models and Experiments, Volume 2. Conference Proceedings
Predictive engineering analytics
Predictive_engineering_analytics
Point where the derivative of a function is zero or undefined (in certain cases)
y-axis, and that, at this point, g does not define an implicit function from x to y (see implicit function theorem). If (x0, y0) is such a critical point
Critical_point_(mathematics)
Mathematical process of finding the derivative of a trigonometric function
the derivatives of the inverse trigonometric functions are found using implicit differentiation. The diagram at right shows a circle with centre O and
Differentiation of trigonometric functions
Differentiation_of_trigonometric_functions
Form of government
being democratic, autocratic, or hybrid. International regimes are sets of implicit or explicit principles, norms, rules, and decision-making procedures that
Regime
IMPLICIT SOLVATION
IMPLICIT SOLVATION
Girl/Female
Indian
Simplicity and purity
Girl/Female
Bengali, Hindu, Indian, Kannada, Marathi, Sanskrit, Tamil, Telugu
Goddess Laxmi; Prosperity; Simplicity; Lovable; Affectionate; Wealthy; Fortunate
Girl/Female
Tamil
Hitanshi | ஹிதாஂஷீÂ
Simplicity and purity
Hitanshi | ஹிதாஂஷீÂ
Girl/Female
Assamese, Gujarati, Hindu, Indian, Kannada, Malayalam, Marathi, Sanskrit, Tamil, Telugu
Virtuous Woman; Simplicity
Girl/Female
Tamil
Hitansi | ஹிதாஂஸீ
Simplicity and purity
Hitansi | ஹிதாஂஸீ
Surname or Lastname
English
English : from Old English Englisc. The word had originally distinguished Angles (see Engel) from Saxons and other Germanic peoples in the British Isles, but by the time surnames were being acquired it no longer had this meaning. Its frequency as an English surname is somewhat surprising. It may have been commonly used in the early Middle Ages as a distinguishing epithet for an Anglo-Saxon in areas where the culture was not predominantly English--for example the Danelaw area, Scotland, and parts of Wales--or as a distinguishing name after 1066 for a non-Norman in the regions of most intensive Norman settlement. However, explicit evidence for these assumptions is lacking, and at the present day the surname is fairly evenly distributed throughout the country.Irish : see Golightly.
Boy/Male
Hindu, Indian
More Polite; Simplicity
Girl/Female
Indian
Simplicity and purity
Girl/Female
Greek Latin Spanish
Pastoral simplicity and happiness.
Boy/Male
Indian, Punjabi, Sikh
Victory of Simplicity
Boy/Male
Indian, Punjabi, Sikh
Love for Simplicity
Girl/Female
Hindu, Indian, Tamil
One with Simplicity; Special Person of All Beings
IMPLICIT SOLVATION
IMPLICIT SOLVATION
Boy/Male
Indian, Sanskrit
Brilliant; Shining
Girl/Female
Greek
A Harpy.
Boy/Male
Hindu, Indian, Romanian
Handsome; Poet; Pain
Girl/Female
Hindu, Indian
Soft; Smooth
Boy/Male
Arthurian Legend
Father of Meleagant.
Boy/Male
Tamil
Himanth Raj | ஹிமஂத ராஜ
Intelligent
Girl/Female
Indian
Boy/Male
Hindu
Knower of meaning
Girl/Female
Indian, Telugu
God Gift
Boy/Male
Bengali, Gujarati, Hindu, Indian, Kannada, Malayalam, Marathi, Telugu
A Sage
IMPLICIT SOLVATION
IMPLICIT SOLVATION
IMPLICIT SOLVATION
IMPLICIT SOLVATION
IMPLICIT SOLVATION
n.
Freedom from subtlety or abstruseness; clearness; as, the simplicity of a doctrine; the simplicity of an explanation or a demonstration.
imp. & p. p.
of Implicate
a.
Infolded; entangled; complicated; involved.
n.
Simplicity; silliness.
n.
State or quality of being implicit.
a.
Not permitted or allowed; prohibited; unlawful; as, illicit trade; illicit intercourse; illicit pleasure.
adv.
By implication; impliedly; as, to deny the providence of God is implicitly to deny his existence.
n.
The quality or state of being simple, unmixed, or uncompounded; as, the simplicity of metals or of earths.
a.
Tacitly comprised; fairly to be understood, though not expressed in words; implied; as, an implicit contract or agreement.
adv.
In an implicit manner; without reserve; with unreserved confidence.
a.
Tending to implicate.
n.
Simplicity.
a.
Not implied merely, or conveyed by implication; distinctly stated; plain in language; open to the understanding; clear; not obscure or ambiguous; express; unequivocal; as, an explicit declaration.
a.
Resting on another; trusting in the word or authority of another, without doubt or reserve; unquestioning; complete; as, implicit confidence; implicit obedience.
n.
An explicit declaration.
n.
Freedom from artificial ornament, pretentious style, or luxury; plainness; as, simplicity of dress, of style, or of language; simplicity of diet; simplicity of life.
a.
Having no disguised meaning or reservation; unreserved; outspoken; -- applied to persons; as, he was earnest and explicit in his statement.
p. pr. & vb. n.
of Implicate
a.
Illicit.
n.
The quality or state of being not complex, or of consisting of few parts; as, the simplicity of a machine.