Electrostatic Force Field Research Articles

Achieving strong optical nonlinearity and wide bandgap of pnictides via ionic motif–driven directed assembly of covalent groups

Noncentrosymmetric (NCS) pnictides are indispensable for nonlinear optics, ferroelectrics, magnetic Weyl electronics, etc., areas, yet their structure design remains a substantial challenge. By using asymmetric ionic unit–driven covalent groups orienting and rigidity-flexibility coupling dual strategy, we successfully design and synthesize four NCS pnictides: [Sr 4 Br] 2 [M II 3 Si 25 P 40 ] (M II = Mg, Cd) and [Ba 3 Br][M III Si 10 P 16 ] (M III = Ga, In), which exhibit strong second harmonic generation effects (5.2 to 7.5 × AgGaS 2 ), wide bandgaps (1.81 to 1.90 electron volts), and moderate birefringence (0.030 to 0.051). An unprecedented NCS structure-inducing mechanism analysis revealed that the (Sr 4 Br) and (Ba 4 Br) ionic units featuring the diamond-like electrostatic force field effectively break inversion symmetry and trigger uniform arrangement of the covalent tetrahedron groups. Furthermore, the nonlinear optical (NLO) properties and birefringence can be remarkably tuned by the secondary covalent building blocks (M II/III P 4 tetrahedra) with distinct bond flexibility providing a broader space for regulating the key parameters. This work might expand chemical space for exploiting high-performance pnictide NLO materials.

Exploring Interatomic Electron Transfer and Metal-Ligand Binding Mechanism in Trimethylenemethane Iron Tricarbonyl: Insights from Potentials per Electron and Corresponding Force Density Fields.

This study employs an analysis of the per-electron potentials and the superposition of the electrostatic and kinetic force fields, Fes(r) and Fk(r), and the gradients of the potential energy and one-electron densities to investigate the binding mechanism in trimethylenemethane iron tricarbonyl complex (TMM)Fe(CO)3. Our approach permits the delineation of the "ligand-binding" force field generated by the metal nucleus but partially operating within the ligand atoms. A mechanical rationale for metal-ligand interactions is thus presented: In the corresponding area, the attractive force Fes(r) provides the backdrop against which the homotropic static force (r) and the heterotropic kinetic force Fk(r) exert attractive and repulsive influences, respectively, toward the metal nucleus on a portion of the electrons belonging to the ligand atoms. This area thus represents electron sharing, which emerges as a quantum chemical response against the metal-to-ligand electron transfer. It has been demonstrated that the response is facilitated by the decreased potential energy density in the vicinity of the interatomic surface. Our findings indicate that the polar coordination bonds in (TMM)Fe(CO)3 exhibit notable quantum chemical responses. However, the previously described nonbonded contact also features an unexpectedly pronounced response, despite the absence of a bond path. It can be proposed that the unforeseen response is a consequence of the formation of the 18-electron, closed valence shell, rather than an indication of the establishment of an organometallic chemical bond.

Carbon Dioxide Electroreduction and Formic Acid Oxidation by Formal Nickel(I) Complexes of Di-isopropylphenyl Bis-iminoacenaphthene.

Processing CO2 into value-added chemicals and fuels stands as one of the most crucial tasks in addressing the global challenge of the greenhouse effect. In this study, we focused on the complex (dpp-bian)NiBr2 (where dpp-bian is di-isopropylphenyl bis-iminoacenaphthene) as a precatalyst for the electrochemical reduction of CO2 into CH4 as the sole product. Cyclic voltammetry results indicate that the realization of a catalytically effective pattern requires the three-electron reduction of (dpp-bian)NiBr2. The chemically reduced complexes [K(THF)6]+[(dpp-bian)Ni(COD)]- and [K(THF)6]+[(dpp-bian)2Ni]- were synthesized and structurally characterized. Analyzing the data from the electron paramagnetic resonance study of the complexes in solutions, along with quantum-chemical calculations, reveals that the spin density is predominantly localized at their metal centers. The superposition of trajectory maps of the electron density gradient vector field and the electrostatic force density field per electron, as well as the atomic charges, discloses that, within the first coordination sphere, the interatomic charge transfer occurs from the metal atom to the ligand atoms and that the complex anions can thus be formally described by the general formulae (dpp-bian)2-Ni+(COD) and (dpp-bian)2 -Ni+. It was also shown that the reduced nickel complexes can be oxidized by formic acid; resulting from this reaction, the two-electron and two-proton addition product dpp-bian-2H is formed.

The relationship between teachers’ enacted pedagogical content knowledge and student learning in fundamental concepts of electrostatics

ABSTRACT Background It is commonly understood that teachers’ effectiveness is reflected by the performances of their students. On the other hand, teachers’ effectiveness is commonly associated with pedagogical content knowledge (PCK). Purpose This paper reports a mixed method study exploring the relationship between teachers’ PCK and evidence of student learning in fundamental concepts of electrostatics. Sample Two in-service and two pre-service teachers as well as 133 students participated in the present study. Design and methods Data reflecting teachers’ PCK was collected using classroom observations and interviews whereas evidence of student learning was explored using a performance test designed for this research. The PCK and the evidence of student learning were studied in terms of the concepts of electrostatic force, electric field, and electric field strength. The refined consensus model of PCK served as the conceptual framework for the study while the components of the topic-specific PCK model served as the analytical framework. Guided by the components, we developed a rubric to score teachers’ PCK on a four-point scale, separately for each concept. Students’ performance was also separately averaged for each concept. Quantitatively, correlation coefficients were calculated for each concept. Qualitatively, in-depth analysis of students’ test responses in the fundamental concepts was conducted in relation to teachers’ engagements with the corresponding concepts. Results The results revealed moderate correlations in terms of the concepts of electrostatic force and electric field strength whereas the correlation was weak in terms of the electric field. Furthermore, we found that the test responses of students often matched the way they were taught by their teachers, supporting the quantitative results. Conclusion Teachers’ PCK and student learning showed weak and moderate correlations that were positive and significant, suggesting that there are other factors beyond PCK that influence student learning.

Fabrication of a dual p-n heterojunction consisted of NiCo2O4/NiO/Al-doped SrTiO3 for boosted photocatalytic overall water splitting

In this study, NiCo2O4/NiO/Al: SrTiO3 (labeled as NCO/NO/ASTO) with dual p-n heterojunction structure was devised and in-situ fabricated for the first time, in which metal–organic framework (MOF)-derived NiCo2O4/NiO (NCO/NO) was utilized as the O2-producing co-catalyst. This dual p-n heterojunction with the matching built-in electric field made it possible to separate and transfer charge carriers in a manner that was substantially more effective than the use of a single p-n heterojunction. The NCO/NO/ASTO-1 exhibits an excellent overall water splitting performance of 1.74 (H2)/0.85 (O2) mmol g−1h−1 when exposed to UV radiation, which is 1.3 and 2.6 times that of NiCo2O4/Al: SrTiO3 (NCO/ASTO) and NiO/Al: SrTiO3 (NO/ASTO) with single p-n heterojunction structure, respectively. The electrostatic adsorption force and matching built-in electric field between ASTO and NCO/NO have been demonstrated, ensuring the presence as well as the stability of the dual p-n junction and accelerating the migration of photogenerated carriers. Moreover, density functional theory (DFT) was used to offer theoretical evidence of the driving force for the interfacial charge transfer in the NCO/NO/ASTO dual p-n heterojunction, which could be attributed to the difference in the work functions (Φ) of the components of NO, NCO, and ASTO.

Electronic and Crystal Packing Effects in Terms of Static and Kinetic Force Field Features: Picolinic Acid N-Oxide and Methimazole

Herein, we experimentally obtained and studied the inner-crystal scalar potential fields and the associated vector force fields of static and kinetic nature in picolinic acid N-oxide (PANO) and methimazole. The “through-bond” and “through-space” electronic effects were defined and distinguished via the vector fields and concurred with the penetration of the electron contributor’s electrostatic and kinetic force field pseudoatoms (φes- and φk-basins) into the occupier’s chemical atom (ρ-basin). A special focus was given to the dipolar N+–O– bond as well as to the thioamide N–C═S and carboxylic O═C–OH fragments. An unusual way of interatomic charge transfer was revealed between two nonbonded hydrogen atoms [COO−]H···H[−C] in the PANO crystal. The experimental electric and kinetic force fields in the molecular crystals were compared to the theoretical ones for the free molecules and hydrogen-bonded associates, which helped figure out the natural consequences of the crystal packing effect. As expected, the appearance of neighboring attractors in a dense crystal packing requires zero-flux surfaces (ZFSs) emerging in the vector fields and the compression of the outer force field pseudoatoms of a molecule. We proposed to consider a ZFS in the kinetic force field to be a turning surface for electrons in the sense that an electron passed through the boundary is immediately affected by the redirected force attributed to another attractor. The strengthening and noticeable increase observed in the covalency of the intramolecular hydrogen bond O–H···O in the PANO crystal is a direct consequence of such compression of the hydrogen atom and pseudoatoms by the inner-crystal environment. The Pauli and fermionic scalar and vector fields were applied to locate electron lone pairs and describe their involvement in noncovalent interactions within the donor–acceptor mechanism.

Primary resonance of a vertically suspended cable under the interaction of mutually perpendicular gravitational and electrostatic fields

The nonlinear primary resonance of a vertically suspended cable driven by harmonic excitation under the interaction of mutually perpendicular gravitational and electrostatic fields is investigated. Based on the D'Alembert's principle and the vector mechanics for a space curve, the three-dimensional nonlinear dynamic governing equations and the compatibility relation equations are derived. The spatial dependence is eliminated by introducing a Galerkin procedure, and the method of multiply scales is utilized to obtain the mean equations. Then, the effects of the electrostatic field force and the linear damping force on primary resonance behaviors of the vertically suspend cable are analyzed. It is found that the coexistence region of multiple solutions and the resonant amplitude decrease, as the linear damping force increases. With the increase of the electrostatic field force, the coexistence region of multiple solutions and the resonant amplitude increase.

Classical Electrostatics Remains the Driving Force for Interanion Hydrogen and Halogen Bonding.

Interanion hydrogen bonding (IAHB) and halogen bonding (IAXB) have emerged as a counterintuitive linker in a range of fascinating applications. Despite the overall repulsive (positive) binding energy, anions are trapped in a local minimum with its corresponding transition state (TS) preventing dissociation. In other words, the adduct of anions is metastable. Seemingly, the electrostatic paradigm and force field description of hydrogen/halogen bonding (HB/XB) are challenged, because of the preconceived Coulombic repulsion. Aiming at an insightful understanding of these interanion phenomena, we employed the energy decomposition approach based on the block-localized wavefunction method (BLW-ED) to investigate a series of exemplary interanion complexes. As expected, the key distinction from the conventional HB/XB lies in the electrostatic interaction, which is not increasingly repulsive as anions gradually approach to each other. Rather, there is a Coulombic barrier at a certain point. After this point, the electrostatic repulsion diminishes with the decreasing distance between anions. Differently, other energy components vary monotonically just like in conventional cases. The nonmonotonic characteristic of the electrostatic interaction in interanion complexes was reproduced using the multipole expansion in AMOEBA polarizable force field in which the state-specified atomic multipoles were adopted. This suggests that the nonmonotonicity can be well interpreted by classical electrostatic theory and there is no conceptual difference between conventional HB/XB and IAHB/IAXB. The stability of IAHB/IAXB depends on the competition between the local attractive HB/XB and the global Coulombic repulsion of net charges, though there is cooperativity between these two contrasting forces. This concise model was supported by the attractive IAHB/IAXB in modified molecular capsules, which exhibit strong quadruple HB/XBs and a considerable distance between charged substituents.

The effects of external force and electrical field on the agglomeration of Fe3O4 nanoparticles in electroosmotic flows in microchannels using molecular dynamics simulation

Recent progress in nanoparticle construction can be seen as a breakthrough in increasing heat transfer methods. The small size of particles and low volume fraction of particles leads to solving agglomeration and pressure drop problems and reduce the cost of storing and transporting nanofluids. Molecular dynamics simulation is one of the essential branches of computational physics that can predict various structures' atomic behavior. In this study, the effects of external electrostatic force and external electrical field on the density, velocity, temperature of atomic structures, and agglomeration of Fe3O4 nanoparticles in a copper microchannel are investigated. The results of the physical properties of this structure are estimated using molecular dynamics simulation and LAMMPS software. The results show that with increasing the applied external electrostatic force the maximum velocity is converged to 0.0071 Å /ps. Also, adding an external electrical field to the simulated nanofluid, the maximum values of density, velocity, and temperature are estimated to 1.32 g/cm3, 0.0078 Å /ps, and 345 K, respectively. The external electrical field has a significant and essential role in the agglomeration process in atomic structures. Finally, it is observed that by increasing the external electrical field, the time required for the agglomeration process increases to 2.26 ns.

Monoclonal Antibody Aggregation near Silicone Oil-Water Interfaces.

In this work, we study the hydrodynamic behavior of monoclonal antibodies in the presence of silicone oil-water interfaces. We model the antibody molecules using a coarse-grained 24-bead model, where two beads are used to represent each antibody domain. We consider the spatial variation of the antibody polarity in our model as each bead represents a set of hydrophilic or hydrophobic amino acids. We use the dissipative particle dynamics scheme to represent the coarse-grained force field which governs the motion of the beads. In addition, interprotein interactions are modeled using an electrostatic force field. The model parameters are determined by comparing the structure factor against experimental structure factor data ranging from a low concentration regime (10 mg/mL) to a high concentration regime (150 mg/mL). Next, we conduct simulations for a suspension of antibody molecules in the presence of silicone oil-water interfaces. Protein loss from the bulk solution is noticed as the molecules adsorb at the interface. We observe dynamic cluster formation in the solution bulk and at the interface, as the antibody molecules self-associate along their trajectories. We quantify the aggregation using a density clustering algorithm and investigate the effect of the antibody concentration on the diffusivity of the antibody solution, aggregation propensity, and protein loss from the bulk. Our study shows that numerical simulations can be an important tool for understanding the molecular mechanisms driving protein aggregation near hydrophobic interfaces.

Effect of Concentration and Nozzle-Collector Distance on the Morphology of Nanofibers

Electrospinning is a method for making nanofibers by utilizing an electric field produced by high voltage. Electrospinning process is influenced by several factors including the concentration of the solution, conductivity, viscosity, volatility, surface tension, electric field strength between the needle and the collector, feed / flow rate and environmental conditions which include temperature, humidity and air composition. Electrospinning parameters are used to optimize the size of the nanofiber, concentration of the solution and the distance of the nozzle to collector. In the process of electrospinning PVA solutions that are handled by high dc voltage gets an electrostatic force and electric field. The solution will elongate to form a Taylor cone, then a jet of polymer will undergo thinning and evaporation to form fibers in the collector. The results of morphological analysis using scanning electron microscopy (SEM) showed that the smallest nanofiber was obtained at a solution concentration of 5%, dc high voltage10 kV, and the distance of the nozzle to collector was 15 cms.

Molecular dynamics free energy simulations of ATP:Mg2+ and ADP:Mg2+ using the polarisable force field AMOEBA

ABSTRACT ATPases and GTPases are two important classes of protein that play critical roles in energy transduction, cellular signalling, gene regulation and catalysis. These proteins use cofactors such as nucleoside di and tri-phosphates (NTP, NDP) and can detect the difference between NDP and NTP which then induce different protein conformations. Mechanisms that drive proteins into the NTP or NDP conformation may depend on factors such as ligand structure and how Mg2+ coordinates with the ligand, amino acids in the pocket and water molecules. Here, we have used the advanced electrostatic and polarisable force field AMOEBA and molecular dynamics free energy simulations (MDFE) to examine the various binding mechanisms of ATP:Mg2+ and ADP:Mg2+. We compared the ATP:Mg2+ binding with previous studies using non-polarisable force fields and experimental data on the binding affinity. It was found that the total free energy of binding for ATP:Mg2+ (−7.00 2.13 kcal/mol) is in good agreement with experimental values (−8.6 .2 kcal/mol) [1]. In addition, parameters for relevant protonation states of ATP, ADP, GTP and GDP have been derived. These parameters will allow for researchers to investigate biochemical phenomena involving NTP’s and NDP’s with greater accuracy than previous studies involving non-polarisable force fields.

Highly biodegradable fluoroquinolone derivatives designed using the 3D-QSAR model and biodegradation pathways analysis.

A three-dimensional quantitative structure-activity relationship (3D-QSAR) model was established based on molecular structures and docking scores (representing the biodegradability); the scores were obtained for 23 fluoroquinolones (FQs) and the oxidoreductase (PDB ID: 1YZP) of Phanerochaete chrysosporium in the aerobic process of municipal wastewater treatment plants. In the Comparative Molecular Field Analysis (CoMFA) model, q2 was 0.516 and r2pred was 0.727, which showed that the model was reliable and robust. The modification information obtained by the contour maps showed that introducing electronegative, bulky or electropositive groups at different active sites could increase the biodegradability of fluoroquinolone derivatives. Using levofloxacin (LEV) as a modified molecule, 35 fluoroquinolone derivatives with higher biodegradability than LEV were designed. After the evaluation of genotoxicity, bioconcentration and photodegradation, Derivative-15, with higher biodegradability (increased by 27.85%), higher genotoxicity, higher photodegradation and lower bioconcentration, was identified as the most environmentally friendly fluoroquinolone derivative. The 2D-QSAR model of FQ biodegradability was established through the quantization parameters, and q+ was identified as the main parameter affecting the biodegradability of FQs through sensitivity analysis. In addition, the docking results of LEV and Derivative-15 with the oxidoreductase in P. chrysosporium showed that the electrostatic field force between Derivative-15 and the amino acid residues promoted the binding of the donor to the receptor protein, thereby increasing the biodegradability of Derivative-15. Additionally, molecular dynamics simulations revealed that the enhancement of the electrostatic field force with Derivative-15 could promote the binding of the ligand to the receptor, which was basically consistent with the conclusion of molecular docking. Finally, the three microbial degradation pathways of LEV and Derivative-15 were also proposed. The total energy barrier value of the pathway with the lowest total energy barrier of biodegradation was reduced by 32.07%, which was basically consistent with the enhancement of biodegradability of Derivative-15.

Optimization of parameters of designed and developed hand-held electrostatic sprayer and its performance evaluation for herbal pesticides

Electrostatic force field has been exploited in the design and development of a handheld air-assisted electrostatic sprayer for herbal pesticides. Electrostatic spraying is a novel approach for agricultural pesticides applications to increase the mass transfer efficiency, pesticide bio-efficacy, uniform deposition, maximum canopy coverage and liquid pest to reach the hidden areas and underside of the target by reducing the drift of active ingredients of pesticides from the target. A new air-assisted electrostatic sprayer has been designed and developed for small scale farms with a specific focus on rural developing economies. In this work, experiments were carried out with four types of herbal pesticides and one chemical pesticide to evaluate and compare the performance of developed electrostatic sprayer. The results are characterized in terms of depended variable i.e. charge-to-mass ratio by varying independent variables such as applied voltage, air pressure, conductivity and density of liquid. The droplets are charged more than 8 mC/kg with an applied voltage of 1.5 kV at a flow rate of 110 ml/min and air pressure of 40 psi which is more than desirable to achieve the wraparound effect. This nozzle is light weight, highly efficient, reduces pesticide use and human health risks, and eco-friendly.

In silico rational design and virtual screening of antixoidant tripeptides based on 3D-QSAR modeling

Antioxidant peptides play an important role in preventing the harmful effects of free radicals against human tissues, by inhibiting and delaying lipid oxidation. Plenty of peptides have been reported by recent literature. Tripeptides, one of the interesting antioxidants, have shown good antioxidant activity. Here, we collected 198 antioxidant tripeptides from literature and applied comparative molecular field analysis (CoMFA) and comparative similarity index analysis (CoMSIA) to construct three-dimension quantitative structure-activity relationship (3D-QSAR) models, which were used to guide combinations design and virtual screening for novel peptides. The CoMFA and CoMISA models had good predictability (R2: 0.735 vs 0.733) and stability (Q2: 0.885 vs 0.914). The contour maps indicated steric, electrostatic, hydrophilic and hydrogen bond acceptor force fields contributed greatly to the antioxidant activity, which could give directly and graphical information for rational design and modification of novel peptides. Consequently, we designed and synthesized 10 new tripeptides and tested their relative antioxidant activity by FRAP and ABTA methods. As a result, most of them showed good antioxidant effects. The high correlation between observed and predicted activity indicated a good predictability of our 3D-QSAR models, which could be used for the combinational design and virtual screening of antioxidant peptides.

Low-field electron mobility evaluation in silicon nanowire transistors using an extended hydrodynamic model

Silicon nanowires (SiNWs) are quasi-one-dimensional structures in which electrons are spatially confined in two directions and they are free to move in the orthogonal direction. The subband decomposition and the electrostatic force field are obtained by solving the Schrödinger–Poisson coupled system. The electron transport along the free direction can be tackled using a hydrodynamic model, formulated by taking the moments of the multisubband Boltzmann equation. We shall introduce an extended hydrodynamic model where closure relations for the fluxes and production terms have been obtained by means of the Maximum Entropy Principle of Extended Thermodynamics, and in which the main scattering mechanisms such as those with phonons and surface roughness have been considered. By using this model, the low-field mobility of a Gate-All-Around SiNW transistor has been evaluated.

Analysis of influence factors on dust removal efficiency for novel photovoltaic lunar dust removal technology

The deposition of lunar dust on the surface of a lunar probe has an adverse effect on the performance of the equipment. This paper proposes novel lunar dust removal technology, which is triggered by UV light isolated from sunlight, to clean the adhered dust using the high voltage produced by the anomalous photovoltaic effect of lanthanum modified lead zirconate titanate. Based on the equivalent electrical model, the mathematical model of electrostatic field force used for removing lunar dust particles is established. Based on the mathematical model the influencing factors of dust removal efficiency are proposed and analyzed by experiments. To improve the dust removal efficiency, a conductive dust removal electrode is designed, coated with a layer of insulating film to avoid the reciprocating motion of dust particles, and the feasibility of the configuration is proved by experiments.

Analytic Solution of the Problem of Additive Formation of an Inhomogeneous Elastic Spherical Body in an Arbitrary Nonstationary Central Force Field

We study the processes of additive formation of spherically shaped rigid bodies due to the uniform accretion of additional matter to their surface in an arbitrary centrally symmetric force field. A special case of such a field can be the gravitational or electrostatic force field. We consider the elastic deformation of the formed body. The body is assumed to be isotropic with elasticmoduli arbitrarily varying along the radial coordinate.We assume that arbitrary initial circular stresses can arise in the additional material added to the body in the process of its formation. In the framework of linear mechanics of growing bodies, the mathematical model of the processes under study is constructed in the quasistatic approximation. The boundary value problems describing the development of stress–strain state of the object under study before the beginning of the process and during the entire process of its formation are posed. The closed analytic solutions of the posed problems are constructed by quadratures for some general types of material inhomogeneity. Important typical characteristics of the mechanical behavior of spherical bodies additively formed in the central force field are revealed. These characteristics substantially distinguish such bodies from the already completely composed bodies similar in dimensions and properties which are placed in the force field and are described by problems of mechanics of deformable solids in the classical statement disregarding the mechanical aspects of additive processes.

A universal and ultrasensitive vectorial nanomechanical sensor for imaging 2D force fields.

The miniaturization of force probes into nanomechanical oscillators enables ultrasensitive investigations of forces on dimensions smaller than their characteristic length scales. It also unravels the vectorial character of the force field and how its topology impacts the measurement. Here we present an ultrasensitive method for imaging two-dimensional vectorial force fields by optomechanically following the bidimensional Brownian motion of a singly clamped nanowire. This approach relies on angular and spectral tomography of its quasi-frequency-degenerated transverse mechanical polarizations: immersing the nanoresonator in a vectorial force field not only shifts its eigenfrequencies but also rotates the orientation of the eigenmodes, as a nanocompass. This universal method is employed to map a tunable electrostatic force field whose spatial gradients can even dominate the intrinsic nanowire properties. Enabling vectorial force field imaging with demonstrated sensitivities of attonewton variations over the nanoprobe Brownian trajectory will have a strong impact on scientific exploration at the nanoscale.

Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

Atomic partial charges appear in the Coulomb term of many force-field models and can be derived from electronic structure calculations with a myriad of atoms-in-molecules (AIM) methods. More advanced models have also been proposed, using the distributed nature of the electron cloud and atomic multipoles. In this work, an electrostatic force field is defined through a concise approximation of the electron density, for which the Coulomb interaction is trivially evaluated. This approximate "pro-density" is expanded in a minimal basis of atom-centered s-type Slater density functions, whose parameters are optimized by minimizing the Kullback-Leibler divergence of the pro-density from a reference electron density, e.g., obtained from an electronic structure calculation. The proposed method, Minimal Basis Iterative Stockholder (MBIS), is a variant of the Hirshfeld AIM method, but it can also be used as a density-fitting technique. An iterative algorithm to refine the pro-density is easily implemented with a linear-scaling computational cost, enabling applications to supramolecular systems. The benefits of the MBIS method are demonstrated with systematic applications to molecular databases and extended models of condensed phases. A comparison to 14 other AIM methods shows its effectiveness when modeling electrostatic interactions. MBIS is also suitable for rescaling atomic polarizabilities in the Tkatchenko-Scheffler scheme for dispersion interactions.