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This paper is a qualitative, theory-based study with a phenomenological, hermeneutic approach and a didactic perspective. The aim of this study is to examine three educators experience of using both Drama in education (DP) and Neurolinguistic programming (NLP) in conjunction with each other, with the aim of changing limiting patterns in individuals and groups. The study examines the following research questions: 1. How does an educator describe their work, using the combination of DP and NLP, with the aim to change limiting patterns? 2. What similarities as well as differences do educators experience between the two methodologies DP and NLP? 3. Why did the educator choose this particular combination? As background there's a brief description of education from a historic point of view and the concept of DP and NLP are explained together with examples of comprehensive research in the field. Following this: learning as theory is presented from the perspective of neuroscience, DP and NLP. Finally the concept of "limiting" patterns is described in detail.Three educators, working with both methods in conjunction, were interviewed and these interviews were compiled, compared and analysed relative to the research questions and theory derived from neuroscience and brain research.The result showes that the educators who were interviewed experienced numerous benefits from using both the DP and NLP methods in conjunction with each other - thus achieving more effective results in changing limiting patterns in people's attitudes, behaviour and outlook. Whilst both methods have similarities and differences, it's noticeable that they bring very different elements to the process. DP is seen as a collective, open and interactive approach that, together with its creative educational aspect, is contributing with a dramatic frame for exploration and visualisation of a particular subject's underlying and dominant patterns. NLP – also frequently based on a dramatic frame - is focused on how these internal patterns are distributed neurologically throughout our senses. The educators believe that DP and NLP used in conjunction creates an effective collaborative formula for change of patterns. Furthermore, NLP offers insights on how the educational approach can be effectively deepened and reinforced. Finally, the study shows that the combination works equally well in both group and individual processes. / Denna studie är en kvalitativ teorinära studie med en fenomenologisk, hermeneutisk ansats och ett didaktiskt perspektiv. Dess syfte är att undersöka tre pedagogers upplevelse av Dramapedagogik (DP) och Neurolingvistisk Programmering (NLP) i kombination, med avsikt att bryta begränsande mönster. Undersökningsfrågorna är: 1. Hur beskriver en pedagog sitt arbete att bryta begränsande mönster med kombinationen DP och NLP? 2. Vad upplever pedagogerna att det finns för likheter och skillnader mellan DP och NLP? 3. Varför har pedagogen valt denna kombination? I bakgrunden redogörs kortfattat för pedagogik ur ett historiskt perspektiv, begreppet DP och NLP beskrivs samt övergripande forskning inom områdena. Därefter redogörs för lärande inom DP, NLP samt ur ett neurovetenskapligt perspektiv. Slutligen redogörs för begreppet ”begränsande mönster”. Intervjuer av tre pedagoger som arbetar med båda metoderna gjordes, sammanställdes och analyserades efter undersökningsfrågorna och teori hämtad från neurovetenskap och hjärnforskning. Resultatet visar att de intervjuade pedagogerna upplever att det finns många fördelar med att kombinera DP och NLP i syfte att bryta begränsande mönster. De har både likheter och skillnader men framför allt tillför de helt olika saker. DP ses som en kollektiv, öppen och interaktiv metod som med sin gestaltande pedagogik tillför former för utforskande och synliggörande av underliggande och styrande mönster. NLP som också många gånger utgår från gestaltande former, är mer fokuserad på hur dessa interna mönster är ordnade neurologiskt via våra sinnen. Pedagogerna anser att DP och NLP är en effektiv kombination i ett förändringsarbete. Vidare kan NLP erbjuda insikter om hur det pedagogiska förhållningssättet kan förstärkas. Slutligen visar studien att kombinationen fungerar väl på såväl grupper som på individuella processer.

Deutschlandweit nehmen die Schulen zahlenmäßig von Jahr zu Jahr zu, die ein bilinguales Angebot z.B. als Zweig oder als Modul in ihr Unterrichtsprogramm aufnehmen. Die meisten Angebote sind in englischer Sprache, aber auch andere – vor allem europäische Sprachen – spielen eine Rolle. Mittlerweile gibt es bilinguale Angebote in fast allen Fächern, wobei die gesellschaftswissenschaftlichen Fächer wie z.B. Geschichte und Geographie nach wie vor dominieren. Überraschenderweise spielt das Fach Darstellendes Spiel in der Diskussion um potenziell geeignete bilinguale Fächer weder in der Theorie noch in der Praxis eine nennenswerte Rolle. Mit der Wahl dieses Themas für die vorliegende Dissertationsschrift wird der bilinguale Sachfachunterricht Darstellendes Spiel erstmals in das Blickfeld der Forschung gerückt. Damit werden sowohl dem Sachfach als auch dem bilingualen Unterricht neue Perspektiven eröffnet. In der vorliegenden Dissertation wird folgenden übergeordneten Fragestellungen nachgegangen: Wie kann das bilinguale Sachfach Darstellendes Spiel für die Sekundarstufen I und II der allgemeinbildenden Schulen konzipiert werden? Worin liegt das besondere Potenzial des bilingualen Sachfachunterrichts Darstellendes Spiel? Welches sind seine spezifischen Merkmale? Dabei soll aufgezeigt werden, wo und in welchem Maße der Einsatz der Fremdsprache die sachfachliche Arbeit positiv oder negativ beeinflusst bzw. welche Auswirkungen der Unterricht im Sachfach auf den Fremdsprachenerwerb hat. Zur Beantwortung dieser Fragen wurde eine Auswahl existierender Ansätze zum szenischen Spiel im Fremdsprachunterricht unter Einbeziehung allgemeiner Überlegungen zur Funktion von Theaterspiel analysiert und zu den Besonderheiten des bilingualen Sachfachunterrichts in Beziehung gesetzt. Das auf dieser Basis erstellte Konzept wird in seinen vielfältigen Potenzialen analysiert und ausgelotet und mit Hilfe eines Praxisbeispiels in englischer Sprache veranschaulicht. / The number of schools in Germany which offer to teach one or more subjects in a foreign language (content and language integrated learning = CLIL) is still growing. The subjects often chosen for this type of instruction are Geography and History. Other subjects are less frequently taught in a foreign language. The courses vary in length (a number of school years or only some weeks). Drama is very rarely chosen as a CLIL-subject, and there are hardly any reports of successful teaching of or scientific literature about CLIL Drama. This thesis puts CLIL Drama for the first time in the centre of scientific research, thus opening new prospects for Drama and CLIL. The main questions this thesis attempts to answer are the following: What could a concept for CLIL Drama look like for pupils at state schools aged between 13 and 18? How can the potential value added of CLIL Drama be described? What are its key features? This thesis also points to the advantages and disadvantages of CLIL Drama. In the search for an answer to the above questions the author has analysed existing approaches to teaching a foreign language (mainly English, but also German and French) with the help of drama, including the current German discussion about bilingual teaching at state schools. Furthermore, the author presents an alternative look into what theatre is about in this context. On the basis of the results of her research the author draws up a broad concept for CLIL Drama at German secondary schools. The thesis concludes with an illustration of a CLIL Drama project (in English) launched among 14-year-olds at a German gymnasium.

Dans le présent travail, nous abordons une problématique essentielle liée aux accessoires des lignes électriques et plus particulièrement au connecteur à perforation d’isolant (TTDC 45501 FA), commercialisé par la société Sicame située à Arnac-Pompadour (Corrèze). Ce produit permet d’effectuer des dérivations de courant en moyenne tension gainé HTA entre 15 et 25kV. Cependant, il devient nécessaire de concevoir une nouvelle génération de connecteurs capable de fonctionner à une tension de 52 kV en raison de la constante augmentation des besoins en électricité. En réalité, le principal souci concernant ces produits réside dans l’apparition de décharges partielles dans le volume constitué par la matière isolante (polyamide 6 chargée à 50% en poids de fibres de verre). Ces décharges engendrent un vieillissement prématuré du produit sous l’action conjuguée d’une atmosphère corrosive (brouillard salin) et d’un champ électrique. Ainsi, l’objectif de la présente thèse est de faire, dans un premier temps, un choix approprié de matériaux isolants parmi des polymères thermoplastiques, thermodurcissables époxydes ou élastomères en EPDM, capables de résister à plusieurs contraintes : thermique, électrique, mécanique, chimique et climatique. La partie expérimentale concerne, tout d’abord, la mesure de la tension de contournement, de l’activité des décharges partielles se propageant à la surface des matériaux isolants et de la tension de claquage, en tension alternative (A.C.). Pour cela, des échantillons polymères qui comportent des surfaces planes ou des surfaces pourvues de protubérances ont été moulés en vue de comparer leur comportement diélectrique en présence d’atmosphères polluées de type brouillard salin; ces mesures sont nécessaires pour effectuer un choix approprié du matériau à intégrer dans le connecteur. Par la suite, l’étude et la caractérisation optique et électrique de décharges glissantes, se propageant en surface de divers matériaux polymères, en tension impulsionnelle (L.I.) pour les deux polarités (positive et négative) et pour deux types de champ électrique (normal et tangentiel) sont présentées pour le cas d’une interface solide/air. La mesure de la longueur finale des décharges glissantes et la visualisation de l’onde de courant sont les deux paramètres principaux pour différencier les caractéristiques des matériaux utilisés. L’ensemble des résultats de mesures a permis de sélectionner les résines époxydes cyclo-aliphatiques (CEP) comme candidates potentielles pour la conception d’une nouvelle génération de connecteurs. De plus, la simulation du champ électrique, à l’aide du logiciel Flux 2D/3D, sur le connecteur électrique (TTDC 45501FA) a permis d’aboutir à la proposition d’un prototype de connecteur présentant une nouvelle géométrie et pouvant fonctionner à 52kV. / In the present study, we deal with an essential problem related to electrical lines accessories and more particularly to piercing connectors (TTDC 45501FA) commercialized by a private company named Sicame and which is located in Arnac-Pompadour (Corrèze, France). This product/accessory is designed to provide power diversions on medium voltage live lines HVA operating between 15 and 25kV. However, it becomes required to design a new generation of piercing connectors able to operate on 52kV live lines because of the electrical power demands that are steadily increasing. Actually, the main concerns about these products are the occurrence of partial discharges within the insulating material volume (polyamide 6 containing 50%wt of glass fibers). Most of the time, these discharges induce an early ageing process of the accessory under the combined effects of a corrosive environment (as salt fog) and an electric field threshold. Thus, the main objective of the present Ph.D. thesis is to carry out an appropriate choice of insulating materials among several tested polymers such as thermoplastics and thermosetting epoxy resins and EPDM elastomers that are capable of withstanding several constraints: thermal and electrical and mechanical and chemical conditions. The experimental section is focusing on the measurements of flashover voltage and partial discharges activity propagating on polymeric surfaces and breakdown voltage within material bulks under A.C voltage. That is why polymeric samples with plane surfaces and textured surfaces are molded to compare their resistance to partial discharges when being subjected to polluted environments such as salt fog; these measurements are necessary to choose the suitable materials for the required application to be integrated in the new generation of connectors. Then, the optical and electrical characterization results of creeping discharges propagating on several polymeric surfaces under lightning impulse (L.I.) voltage with its both polarities (positive and negative) and for two kinds of applied electric field (normal and tangential) are presented in the case of solid/air interfaces. Final length measurements of creepage discharges are the main parameter for distinguishing material properties. The whole obtained results (under AC and LI voltages) allow us to point out the cycloaliphatic epoxy resins as potential candidates to the conception of a new generation of piercing connectors. In addition, the electric field simulation and modelling of the TTDC 45501FA connector by using the Flux 2D/3D software seems to be helpful to design a connector prototype which exhibits a new geometry and is able to reach a voltage level that equals 52kV.

Cette thèse s’inscrit dans le contexte de la surveillance des postes sous enveloppe métallique (PSEM) en courant continu (DC). La disponibilité de ces équipements étant primordiale pour leurs utilisateurs, il est nécessaire de disposer d’un outil de surveillance (monitoring) permettant de prévenir toute défaillance. Cet outil doit être capable de détecter et d’identifier les défauts présents, afin d’apporter une réponse adaptée. Depuis de nombreuses années, le monitoring des PSEM en AC est réalisé grâce à la mesure des décharges partielles (DP). Malheureusement, les connaissances des DP dans les PSEM en DC sont encore lacunaires, et les techniques d’identification des défauts sont intrinsèquement liées à l’environnement AC. De nouvelles techniques sont donc nécessaires en DC.Ce travail de thèse avait pour but de caractériser les décharges partielles dans les postes sous enveloppe métallique en tension continue, et de mettre en place une solution de reconnaissance automatique des défauts. Pour cela, un banc de mesure des décharges partielles a d’abord été mis en place. Afin de garantir la pertinence des résultats pour des systèmes industriels, les travaux ont été réalisés dans une section de PSEM sous tension continue. Le comportement des DP a été étudié pour deux types de défauts : des pointes sur le conducteur haute-tension et des particules libres métalliques. La caractérisation a porté sur l’influence de plusieurs paramètres : la nature et la pression du gaz, le niveau et la polarité de la tension. La mesure des DP a d’abord été réalisée en conformité avec la norme IEC 60270, permettant ainsi d’évaluer la pertinence de cette méthode pour les applications DC. La caractérisation a été complétée grâce à d’autres chaînes de mesure : une mesure de courant stationnaire, une mesure de courant haute-fréquence, une mesure de lumière, et une mesure des ondes ultra-haute fréquence (UHF). Le travail sur l’identification des défauts a d’abord consisté à construire une signature pertinente à partir des mesures de DP, puis à constituer une base de données, et enfin à implémenter un algorithme de reconnaissance automatique.Ces travaux ont montré que la méthode conventionnelle de mesure des DP présente certaines limites pour la détection des décharges partielles en DC, notamment pour les décharges couronne. Elle a tout de même permis de faire une bonne partie du travail de caractérisation. Les résultats obtenus avec les autres chaînes de mesure utilisées ont permis d’expliquer les lacunes de la méthode conventionnelle. Ils ont également permis un véritable apport pour la caractérisation des DP engendrées par des défauts de type pointe et particule. Enfin, une classification automatique efficace des défauts a été mise en place. Elle s’appuie sur le diagramme q(Δt) issu des données de la mesure conventionnelle des décharges partielles et sur un algorithme de réseau de neurones. / The framework of this thesis is the monitoring of High-Voltage, Direct Current (HVDC) Gas-Insulated Substations (GIS). The availability of these equipment is crucial for electrical networks operators. That is why they need a preventive diagnosis tool. The solution must be able to detect and identify the insulation defects, so that an appropriate maintenance can be planned. The last 40 years have seen Partial Discharges (PD) measurement become a classic monitoring tool for AC GIS. Unfortunately, there is a lack of scientific information about PD in HVDC GIS, and the known defect identification techniques are very specific to the AC environment. New techniques are thus needed in DC.This thesis aimed to characterize partial discharges in DC gas-insulated substations, and to develop an automatic defect identification tool. The first step of this work was the development of a partial discharge measuring bench. The complete study has been performed in a GIS section, so that the results can be directly applied to industrial equipment. Two kinds of defect have been investigated: protrusions on the high-voltage conductor, and free metallic particles. The influence of parameters such as gas nature and pressure, voltage level and polarity has been evaluated. First, PD have been measured in conformity with the IEC 60270 standard, and the relevance of this method in a DC environment has been evaluated. Then, other measuring chains have been used to improve the characterization of partial discharges: a steady-state current measurement, a high-frequency current measurement, a light measurement and a measurement of Ultra-High Frequency (UHF) waves. Finally, a relevant signature for defect identification has been designed and extracted from DP recordings. A database has been constituted, and an automated recognition algorithm has been implemented.The results show that the conventional PD measurement technique is not fully adapted to partial discharges detection in DC, corona discharges being the most problematic situation. Nevertheless, this method has brought enough information to start the characterization of PD. The limitations of the conventional method have been explained thanks to the results of the other measurements. These other experimental results have led to an actual improvement of the characterization of protrusion and particle-generated partial discharges. An effective automated defect classification solution has been implemented. The signature is derived from the q(Δt) diagram that has been extracted from the data obtained with the partial discharge conventional measurement. The identification algorithm has a neural network structure.

Problems involving optimal sequential making in uncertain dynamic systems arise in domains such as engineering, science and economics. Such problems can often be cast in the framework of Markov Decision Process (MDP). Solving an MDP requires computing the optimal value function and the optimal policy. The idea of dynamic programming (DP) and the Bellman equation (BE) are at the heart of solution methods. The three important exact DP methods are value iteration, policy iteration and linear programming. The exact DP methods compute the optimal value function and the optimal policy. However, the exact DP methods are inadequate in practice because the state space is often large and in practice, one might have to resort to approximate methods that compute sub-optimal policies. Further, in certain cases, the system observations are known only in the form of noisy samples and we need to design algorithms that learn from these samples. In this thesis we study interesting theoretical questions pertaining to approximate and learning algorithms, and also present an interesting application of MDPs in the domain of crowd sourcing. Approximate Dynamic Programming (ADP) methods handle the issue of large state space by computing an approximate value function and/or a sub-optimal policy. In this thesis, we are concerned with conditions that result in provably good policies. Motivated by the limitations of the PBE in the conventional linear algebra, we study the PBE in the (min, +) linear algebra. It is a well known fact that deterministic optimal control problems with cost/reward criterion are (min, +)/(max, +) linear and ADP methods have been developed for such systems in literature. However, it is straightforward to show that infinite horizon discounted reward/cost MDPs are neither (min, +) nor (max, +) linear. We develop novel ADP schemes namely the Approximate Q Iteration (AQI) and Variational Approximate Q Iteration (VAQI), where the approximate solution is a (min, +) linear combination of a set of basis functions whose span constitutes a subsemimodule. We show that the new ADP methods are convergent and we present a bound on the performance of the sub-optimal policy. The Approximate Linear Program (ALP) makes use of linear function approximation (LFA) and offers theoretical performance guarantees. Nevertheless, the ALP is difficult to solve due to the presence of a large number of constraints and in practice, a reduced linear program (RLP) is solved instead. The RLP has a tractable number of constraints sampled from the original constraints of the ALP. Though the RLP is known to perform well in experiments, theoretical guarantees are available only for a specific RLP obtained under idealized assumptions. In this thesis, we generalize the RLP to define a generalized reduced linear program (GRLP) which has a tractable number of constraints that are obtained as positive linear combinations of the original constraints of the ALP. The main contribution here is the novel theoretical framework developed to obtain error bounds for any given GRLP. Reinforcement Learning (RL) algorithms can be viewed as sample trajectory based solution methods for solving MDPs. Typically, RL algorithms that make use of stochastic approximation (SA) are iterative schemes taking small steps towards the desired value at each iteration. Actor-Critic algorithms form an important sub-class of RL algorithms, wherein, the critic is responsible for policy evaluation and the actor is responsible for policy improvement. The actor and critic iterations have deferent step-size schedules, in particular, the step-sizes used by the actor updates have to be generally much smaller than those used by the critic updates. Such SA schemes that use deferent step-size schedules for deferent sets of iterates are known as multitimescale stochastic approximation schemes. One of the most important conditions required to ensure the convergence of the iterates of a multi-timescale SA scheme is that the iterates need to be stable, i.e., they should be uniformly bounded almost surely. However, the conditions that imply the stability of the iterates in a multi-timescale SA scheme have not been well established. In this thesis, we provide veritable conditions that imply stability of two timescale stochastic approximation schemes. As an example, we also demonstrate that the stability of a widely used actor-critic RL algorithm follows from our analysis. Crowd sourcing (crowd) is a new mode of organizing work in multiple groups of smaller chunks of tasks and outsourcing them to a distributed and large group of people in the form of an open call. Recently, crowd sourcing has become a major pool for human intelligence tasks (HITs) such as image labeling, form digitization, natural language processing, machine translation evaluation and user surveys. Large organizations/requesters are increasingly interested in crowd sourcing the HITs generated out of their internal requirements. Task starvation leads to huge variation in the completion times of the tasks posted on to the crowd. This is an issue for frequent requesters desiring predictability in the completion times of tasks specified in terms of percentage of tasks completed within a stipulated amount of time. An important task attribute that affects the completion time of a task is its price. However, a pricing policy that does not take the dynamics of the crowd into account might fail to achieve the desired predictability in completion times. Here, we make use of the MDP framework to compute a pricing policy that achieves predictable completion times in simulations as well as real world experiments.

Solution combustion synthesis (SCS) with its origin at IPC department of IISc has been widely practiced for synthesis of oxide materials. It is simple and low cost process, with energy and time savings that can be used to produce homogeneous, high purity, uniformly doped, nano crystalline ceramic powders. The powders characteristics such as crystallite size and surface area are primarily governed by enthalpy, flame temperature of combustion, fuel and fuel to oxidizer ratio ( F/O). In the present work an attempt has been made to investigate the process in order to exercise a control over the phase formation and nature of the product. Initial part of the work deals with the effect of fuel to oxidizer ratio on the powder properties of binary oxides with urea as fuel. The variation of adiabatic flame temperatures are calculated theoretically for different F/O ratios according to thermodynamic concept and correlated with the observed flame temperatures. Difference in the measured flame temperature and theoretical flame temperature in the fuel rich region is explained on the basis of incomplete combustion model. The effect of decomposition temperature difference of fuel and oxidizer, solubility of reactants on exothermicity of combustion reaction taking aluminiumnitrate system for various fuels is investigated. The effect of mixed fuel approach is studied by using the urea-glycine mixed fuel system using aluminium nitrate as oxidizer and employed for successful synthesis of the gamma alumina. Further Compaction behavior of SCS nano ceramic powders is studied by using Universal testing machine and the effect of F/O ratio, on agglomeration strength, aggregation strength of powder is investigated. Very few reports can be found on usage of SCS ceramic powder for biomaterial applications. By using these investigations a pyroxene series Diopside (CaMgSi2O6) silicate material is synthesized by SCS. Effect of different fuels on Diopside (DP) phase formation is investigated. Finally the DP and DP-ZnO composites, made by using Uniaxial hot pressing are investigated for their antibacterial, cytocompatibility properties. Antibacterial activity of E.Coli bacterium of Diopside powders was dose dependent type. Results of the bioactivity investigations shown flattened MC3T3 mouse osteoblast cells and MC C2C12 Myoblast cells and linkage bridges formed between them on Diopside and DP-ZnO surfaces show cyto compatibility and MTT results showed that percentage of ZnO needs to be tailored between 0-10 in order to achieve maximum cytocompatibility coupled with antibacterial property.

Studies have shown elementary teachers may not be well prepared to use technology in their classrooms. This study examines one elementary teacher’s feelings of technology self-efficacy (TSE), needs and pedagogical strategies when using the interactive whiteboard (IWB) to teach elementary science. It employed a single case study design, where the researcher and participant worked together during supportive professional development (PD) sessions. Data sources are twelve PD sessions, the Computer Technology Integration Survey (adapted for IWB use in the classroom), and two interviews, three in-class observations of IWB science lessons, and three lesson debriefs. Descriptive and thematic analysis show the participant’s TSE was positively influenced by the PD. Five factors were determined to influence TSE: the participant’s level of interest, attitude, experience with technology, student assistance, and familiarity with the setting. Teacher, contextual and IWB- level needs were explained. Pedagogical strategies for technology use based on interactive IWB features are also discussed. Findings could contribute to current trends in teacher PD, continuing education, and preservice teaching programs related to science teaching. / Plusieurs enseignants ne sont pas bien préparés pour utiliser la technologie en classe. En particulier, le tableau blanc interactif (TBI) n’est pas utilisé de façon optimale par les enseignants lorsqu’ils enseignent les sciences et la technologie à l’élémentaire. Cette thèse présente l’étude de cas unique d’une enseignante de l’élémentaire ayant cheminé dans un processus de développement professionnel (DP) pour l’aider à intégrer le TBI en sciences et technologie. Douze sessions de DP, un questionnaire sur l’efficacité avec le TBI (CTIS adapté), deux entrevues, trois sessions d’observation en classe et trois discussions sur les leçons constituent les sources de données. La participante est devenue plus confiante pour utiliser le TBI suite au DP. Elle a rehaussé son sentiment d’autoefficacité et accru son intérêt et sa connaissance du TBI. Elle a acquis des compétences techniques et une connaissance des contenus d’enseignement adaptés au TBI, bien que plusieurs besoins perdurent. Certaines stratégies pédagogiques avec le TBI expérimentées en classe par l’enseignante sont discutées. Cette thèse peut contribuer à fournir des pistes pour aider les enseignants au primaire à mieux intégrer le TBI en sciences et technologie, que ce soit lors de leur formation initiale à l’enseignement ou en cours d’emploi.

<p>In this thesis, we present novel computational methods and frameworks to address the challenges associated with the determination of free energy profiles for condensed-phase chemical reactions using combined quantum mechanical and molecular mechanical (QM/MM) approaches. We focus on overcoming issues related to force matching, molecular polarizability, and convergence of free energy profiles. First, we introduce a method called Reaction Path-Force Matching in Collective Variables (RP-FM-CV) that efficiently carries out ab initio QM/MM free energy simulations through mean force fitting. This method provides accurate and robust simulations of solution-phase chemical reactions by significantly reducing deviations on the collective variables forces, thereby bringing simulated free energy profiles closer to experimental and benchmark AI/MM results. Second, we explore the role of pairwise repulsive correcting potentials in generating converged free energy profiles for chemical reactions using QM/MM simulations. We develop a free energy correcting model that sheds light on the behavior of repulsive pairwise potentials with large force deviations in collective variables. Our findings contribute to a deeper understanding of force matching models, paving the way for more accurate predictions of free energy profiles in chemical reactions. Next, we address the underpolarization problem in semiempirical (SE) molecular orbital methods by introducing a hybrid framework called doubly polarized QM/MM (dp-QM/MM). This framework improves the response property of SE/MM methods through high-level molecular polarizability fitting using machine learning (ML)-derived corrective polarizabilities, referred to as chaperone polarizabilities. We demonstrate the effectiveness of the dp-QM/MM method in simulating the Menshutkin reaction in water, showing that ML chaperones significantly reduce the error in solute molecular polarizability, bringing simulated free energy profiles closer to experimental results. In summary, this thesis presents a series of novel methods and frameworks that improve the accuracy and reliability of free energy profile estimations in condensed-phase chemical reactions using QM/MM simulations. By addressing the challenges of force matching, molecular polarizability, and convergence, these advancements have the potential to impact various fields, including computational chemistry, materials science, and drug design.</p>