ab initio - Word Meanings, Synonyms, Antonyms, Real-world Usage, Foreign Language Equivalent Translation, Mis-spellings

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ab initio

Synonyms

Adverb
1. initially
2. at first, at the start

Usage

An artificial intelligence accelerated ab initio molecular dynamics dataset for electrochemical interfaces - Nature

Ab Initio Calculation of Ground- and Low-Excited-State Spectroscopic Data and Transition Properties of SBr+ - ACS Publications

Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe - Nature

From Ab Initio to Instrumentation: A Field Guide to Characterizing Multivalent Liquid Electrolytes - ACS Publications

Ab initio structure solutions from nanocrystalline powder diffraction data via diffusion models - Nature

Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge Transfer - ACS Publications

Ab initio parametrization of a generalized Hubbard model in a molecule displaying chirality-induced spin selectivity - Nature

Ab Initio Valence Bond Molecular Dynamics: A Study of SN2 Reaction Mechanisms - ACS Publications

An efficient quantum algorithm for ab initio approximations of non-linear response functions - Nature

Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions - ACS Publications

Ab-initio dynamic study of mechanisms for dust-mediated molecular hydrogen formation in space - Nature

Accurate Neural Network Fine-Tuning Approach for Transferable Ab Initio Energy Prediction across Varying Molecular and Crystalline Scales - ACS Publications

Ab initio quantum many-body description of superconducting trends in the cuprates - Nature

Unraveling Polymer–Water Interaction: Ab Initio Insights into Neutral Polymer Hydration - ACS Publications

The ab initio non-crystalline structure database: empowering machine learning to decode diffusivity - Nature

High-Throughput Computation of ab initio Raman Spectra for Two-Dimensional Materials - Nature

Ab initio dynamical mean field theory with natural orbitals renormalization group impurity solver - Nature

Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten - Nature

Accelerating ab initio melting property calculations with machine learning: application to the high entropy alloy TaVCrW - Nature

Analytical ab initio hessian from a deep learning potential for transition state optimization - Nature

Ab initio characterization of protein molecular dynamics with AI2BMD - Nature

Ab Initio Investigation of the Competitive Adsorption of RuO - ACS Publications

Ab initio investigation of a hypersonic double cone experiment - Science | AAAS

Ab Initio Speciation of Tc-Gluconate Complexes in Aqueous Systems - ACS Publications

Ab Initio Investigation on the Role of Ligation of Metal Chalcogenide Clusters for CO Oxidation - ACS Publications

Synthesis, Photophysical Properties, and Ab Initio Calculations of Dual Solution-Solid-State-Emitting Ethynyl-Extended Boranil Complexes - ACS Publications

Ab Initio Predictions of Adsorption in Flexible Metal–Organic Frameworks for Water Harvesting Applications - ACS Publications

Ab-Initio Quantum Transport Simulation of Sub-1 nm Gate Length Monolayer and Bilayer WSe - ACS Publications

3T-VASP: fast ab-initio electrochemical reactor via multi-scale gradient energy minimization - Nature

Ab Initio Kinetics of Electrochemical Reactions Using the Computational Fc0/Fc+ Electrode - ACS Publications

Ab Initio Exploration of the Phosphoryl Transfer Reaction Provides Insights into Interpreting Models of SN2 Mechanisms - ACS Publications

Positron Annihilation Lifetime Spectroscopy of Single Crystalline CH - ACS Publications

Silver Bismuth Iodides for Photovoltaic Applications: Insights from Ab Initio Calculations and Experimental Analysis - ACS Publications

Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation - Nature

New Dimension in Ab Initio Electronic Structure Theory: Temperature, Pressure, and Chemical Potential - ACS Publications

Ab Initio Yacht - SuperYacht Times

The Dynamic Diversity and Invariance of Ab Initio Water - ACS Publications

High-speed and low-power molecular dynamics processing unit (MDPU) with ab initio accuracy - Nature

Thermoelectric Characteristics of Silver-Based Chalcopyrite Semiconductors: An Ab Initio Study Based on the Nonempirical Range-Separated Dielectric-Dependent Hybrid - ACS Publications

Interfacial and Electrical Properties of Si/APS/MAPbI3 Heterostructure: An Ab Initio Study - ACS Publications

From static prediction to dynamic characterization: AI2BMD advances protein dynamics with ab initio accuracy - Microsoft

Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets - Nature

Ab initio mechanisms and design principles for photodesorption from TiO2 | npj Computational Materials - Nature

Solvent Effects on Nonadiabatic Dynamics: Ab Initio Multiple Spawning Propagated on CASPT2/xTB Potentials - ACS Publications

Combinatorial ab initio calculations and core spectroscopy unravel the electronic structure of nickel cobalt manganese oxide - Nature

Curriculum learning for ab initio deep learned refractive optics - Nature

Ab Initio Design of Molecular Qubits with Electric Field Control - ACS Publications

Anion Photoelectron Spectroscopy and Ab Initio Studies of the UF– Anion - ACS Publications

Ab Initio Investigation of Per- and Poly-fluoroalkyl Substance (PFAS) Adsorption on Zerovalent Iron (Fe0) - ACS Publications

Accurate Enthalpies of Formation for Bioactive Compounds from High-Level Ab Initio Calculations with Detailed Conformational Treatment: A Case of Cannabinoids - ACS Publications

First Ab Initio Line Lists for Triatomic Sulfur-Containing Molecules: S2O and S3 - ACS Publications

Optical Properties of Single Layer Cu2WSe4 from the Ab Initio Bethe–Salpeter Equation Method - ACS Publications

Synergy of Experiment and Broadened Exploration of Ab Initio Calculations for Understanding of Lanthanide–Pentacyanidocobaltate Molecular Nanomagnets and Their Optical Properties - ACS Publications

Ab Initio Simulation of Medium-Range Ordering in Ionic Glass Electrolytes LiSiPON and LiNaSiPON - ACS Publications

Ab Initio Molecular Dynamics Simulations of Amino Acids and Their Ammonia-Based Analogues in Ammonia - ACS Publications

Proton Transport Scenarios in Sulfuric Acid Explored via Ab Initio Molecular Dynamics Simulations - ACS Publications

Atmospheric Chemistry of Chloroprene Initiated by OH Radicals: Combined Ab Initio/DFT Calculations and Kinetics Analysis - ACS Publications

Ab Initio Rotational and Vibrational Spectroscopy of C3H5 Radicals at the Coupled Cluster Level - ACS Publications

Ab-Initio Study of Run and Rhn (n = 1–3) Nanoclusters on Monolayer MoSSe for Sensing Industrial Toxic Gases - ACS Publications

Ab Initio Calculations of Spin Splitting and Transport in the Binary Chiral SiC and BN Nanotubes - ACS Publications

Neodymium(III) Aqua Ion as a Model System in Ab Initio Crystal Field Analysis Beyond Point Charges and Crystal Field Theory - ACS Publications

Ab Initio Simulation of Liquid Water without Artificial High Temperature - ACS Publications

Ab Initio Molecular Dynamics Study of Trivalent Rare Earth Rich Borate Glasses: Structural Insights and Formation Mechanisms - ACS Publications

Ab Initio Design of Molecular Qubits with Electric Field Control - ACS Publications

Toward Accurate Ab Initio Ground-State Potential Energy and Electric Dipole Moment Functions of Carbon Monoxide - ACS Publications

Acceleration of Diffusion in Ab Initio Nanoreactor Molecular Dynamics and Application to Hydrogen Sulfide Oxidation - ACS Publications

Ab Initio Molecular Dynamics Calculations on NO Oxidation over Oxygen-Functionalized Highly Oriented Pyrolytic Graphite - ACS Publications

Structure of the Se4 Isomers─An Ab Initio Study - ACS Publications

Ab initio methods for superconductivity - Nature

Modeling Dynamic Catalysis at ab Initio Accuracy: The Need for Free-Energy Calculation - ACS Publications

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracy - Nature

Atomistic Insights into Silicate Dissolution of Metakaolinite under Alkaline Conditions: Ab Initio Quantum Mechanical Investigation - ACS Publications

Efficient and Robust Ab Initio Self-Consistent Field Acceleration Algorithm Based on a Semiempirical Model Hamiltonian - ACS Publications

Dissociation Dynamics of CH3CHOO Criegee Intermediates in the Earth’s Atmosphere: Ab Initio and RRKM Study - ACS Publications

Making Peace with Random Phases: Ab Initio Conical Intersection Quantum Dynamics in Random Gauges - ACS Publications

Ab initio framework for deciphering trade-off relationships in multi-component alloys | npj Computational Materials - Nature

How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride - ACS Publications

Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles - ACS Publications

Ab Initio Simulation of Liquid Water without Artificial High Temperature - ACS Publications

Role of the Radical Character in Singlet Fission: An Ab Initio and Quantum Chemical Topology Analysis - ACS Publications

Kinetic, thermodynamic, and ab initio insights of AsnGly isomerisation as a ticking time bomb for protein integrity - Nature

Ab Initio Atomistic Characterization of Confined Bulk and Bennett Plasmons in Metallic Nanoparticles as Probed by Penetrating Electrons - ACS Publications

Ab Initio Molecular Dynamics Simulations of Phosphocholine Interactions with a Calcium Oxalate Dihydrate (110) Surface - ACS Publications

Ab Initio Insight into CsHMoO4 and H2MoO4 Complexes on MoO3 Surfaces - ACS Publications

From Many-Body Ab Initio to Effective Excitonic Models: A Versatile Mapping Approach Including Environmental Embedding Effects - ACS Publications

Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface - ACS Publications

Ab Initio Study of the Influence of Spin and Orbital Magnetic Moments on the Stability of Magnetic and Charge Distribution in Co:ZnO Monolayer - ACS Publications

Molecular Insights into Marcuss Theory: An Ab Initio Quantum Chemistry Computational Lab Practice for Charge Transfer Kinetics Pedagogy - ACS Publications

Monolayers: Implications for Multifunctional Solar-Blind Ultraviolet Detector - ACS Publications

Ab Initio Kinetic Pathway of Diborane Decomposition on Transition Metal Surfaces in Borophene Chemical Vapor Deposition Growth - ACS Publications

Neodymium(III) Aqua Ion as a Model System in Ab Initio Crystal Field Analysis Beyond Point Charges and Crystal Field Theory - ACS Publications

Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations - PNAS

Ab Initio Molecular Dynamics Approach for Oxidation of SiC Surface in Contact with Aqueous H2O2 Solutions - ACS Publications

Ab Initio Insights into the Surface Passivation-Driven Moisture Resistance in CsSnI3 Perovskites - ACS Publications

Reactant Discovery with an Ab Initio Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways - ACS Publications

Ab Initio Prediction of Two-Dimensional GeSiBi2 Monolayer as Potential Anode Materials for Sodium-Ion Batteries - ACS Publications

An ab Initio Study of Carbon Impurities on Single-Layer MoS2 for Optoelectronic Applications - ACS Publications

Ab Initio Molecular Dynamics Investigation of Water and Butanone Adsorption on UiO-66 with Defects - ACS Publications

A New Route to the Prebiotic Synthesis of Glycine via Ab Initio-Based Machine Learning Calculations - ACS Publications

Energetic and Kinetic Competition on the Stability of Pd13 Clusters: Ab Initio Molecular Dynamics Simulations - ACS Publications

Foreign Language Equivalents

Foreign Language Equivalents of 'ab initio'
Language	Equivalent		Language	Equivalent
French	ab initio		Spanish

Misspellings - Typos

ab initii,   a initio,   ab iniito,   ab ibitio,   ab iniyio,   ab  initio,   ab iintio,   abi nitio,   ab imitio,   ab inittio,   ab nitio,   av initio,   abb initio,   abinitio,   ab iitio,   ab onitio,   ab initiio,   ab initoi,   ab initip,   ab initioo,   ab intio,   ab initi,   b initio,   sb initio,   a binitio,   an initio,   ab inituo,   ab niitio,   ab inito,   ab inotio,   ab unitio,   ab inutio,   ab iniio,   ab intiio,   ba initio,   ab innitio,   ab iinitio,   ab iniitio,   aab initio,   ab inirio,   ab initoo

Words Starting with Letter - 'A'

a	a battery	a billion
a bit	a bit much	a capella singing
a cappella singing	a couple of	a few
a fortiori	a good deal	a great deal
a horizon	a hundred	a hundred and one
a hundred thousand	a hundred times	a kempis
a la carte	a la mode	a level
a little	a lot	a million

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